id sid tid token lemma pos cord-324395-v5uiuhih 1 1 key key JJ cord-324395-v5uiuhih 2 1 : : : cord-324395-v5uiuhih 2 2 cord-324395-v5uiuhih cord-324395-v5uiuhih NNP cord-324395-v5uiuhih 2 3 authors author NNS cord-324395-v5uiuhih 2 4 : : : cord-324395-v5uiuhih 2 5 Lemmin Lemmin NNP cord-324395-v5uiuhih 2 6 , , , cord-324395-v5uiuhih 2 7 Thomas Thomas NNP cord-324395-v5uiuhih 2 8 ; ; : cord-324395-v5uiuhih 2 9 Soto Soto NNP cord-324395-v5uiuhih 2 10 , , , cord-324395-v5uiuhih 2 11 Cinque Cinque NNP cord-324395-v5uiuhih 2 12 title title NN cord-324395-v5uiuhih 2 13 : : : cord-324395-v5uiuhih 3 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 3 2 : : : cord-324395-v5uiuhih 3 3 a a DT cord-324395-v5uiuhih 3 4 Python Python NNP cord-324395-v5uiuhih 3 5 framework framework NN cord-324395-v5uiuhih 3 6 for for IN cord-324395-v5uiuhih 3 7 the the DT cord-324395-v5uiuhih 3 8 rapid rapid JJ cord-324395-v5uiuhih 3 9 modeling modeling NN cord-324395-v5uiuhih 3 10 of of IN cord-324395-v5uiuhih 3 11 glycans glycan NNS cord-324395-v5uiuhih 3 12 date date NN cord-324395-v5uiuhih 3 13 : : : cord-324395-v5uiuhih 3 14 2019 2019 CD cord-324395-v5uiuhih 3 15 - - SYM cord-324395-v5uiuhih 3 16 10 10 CD cord-324395-v5uiuhih 3 17 - - SYM cord-324395-v5uiuhih 3 18 22 22 CD cord-324395-v5uiuhih 3 19 journal journal NN cord-324395-v5uiuhih 3 20 : : : cord-324395-v5uiuhih 4 1 BMC BMC NNP cord-324395-v5uiuhih 4 2 Bioinformatics Bioinformatics NNP cord-324395-v5uiuhih 4 3 DOI DOI NNP cord-324395-v5uiuhih 4 4 : : : cord-324395-v5uiuhih 4 5 10.1186 10.1186 CD cord-324395-v5uiuhih 4 6 / / SYM cord-324395-v5uiuhih 4 7 s12859 s12859 NN cord-324395-v5uiuhih 4 8 - - HYPH cord-324395-v5uiuhih 4 9 019 019 CD cord-324395-v5uiuhih 4 10 - - HYPH cord-324395-v5uiuhih 4 11 3097 3097 CD cord-324395-v5uiuhih 4 12 - - SYM cord-324395-v5uiuhih 4 13 6 6 CD cord-324395-v5uiuhih 4 14 sha sha NN cord-324395-v5uiuhih 4 15 : : : cord-324395-v5uiuhih 5 1 d7528a14c4876dbffb163105631a9dea22f20f83 d7528a14c4876dbffb163105631a9dea22f20f83 NNP cord-324395-v5uiuhih 5 2 doc_id doc_id NNP cord-324395-v5uiuhih 5 3 : : : cord-324395-v5uiuhih 5 4 324395 324395 CD cord-324395-v5uiuhih 5 5 cord_uid cord_uid NNS cord-324395-v5uiuhih 5 6 : : : cord-324395-v5uiuhih 6 1 v5uiuhih v5uiuhih NNP cord-324395-v5uiuhih 6 2 BACKGROUND BACKGROUND NNP cord-324395-v5uiuhih 6 3 : : : cord-324395-v5uiuhih 7 1 Carbohydrates carbohydrate NNS cord-324395-v5uiuhih 7 2 are be VBP cord-324395-v5uiuhih 7 3 a a DT cord-324395-v5uiuhih 7 4 class class NN cord-324395-v5uiuhih 7 5 of of IN cord-324395-v5uiuhih 7 6 large large JJ cord-324395-v5uiuhih 7 7 and and CC cord-324395-v5uiuhih 7 8 diverse diverse JJ cord-324395-v5uiuhih 7 9 biomolecules biomolecule NNS cord-324395-v5uiuhih 7 10 , , , cord-324395-v5uiuhih 7 11 ranging range VBG cord-324395-v5uiuhih 7 12 from from IN cord-324395-v5uiuhih 7 13 a a DT cord-324395-v5uiuhih 7 14 simple simple JJ cord-324395-v5uiuhih 7 15 monosaccharide monosaccharide NN cord-324395-v5uiuhih 7 16 to to IN cord-324395-v5uiuhih 7 17 large large JJ cord-324395-v5uiuhih 7 18 multi multi JJ cord-324395-v5uiuhih 7 19 - - JJ cord-324395-v5uiuhih 7 20 branching branching JJ cord-324395-v5uiuhih 7 21 glycan glycan NN cord-324395-v5uiuhih 7 22 structures structure NNS cord-324395-v5uiuhih 7 23 . . . cord-324395-v5uiuhih 8 1 The the DT cord-324395-v5uiuhih 8 2 covalent covalent JJ cord-324395-v5uiuhih 8 3 linkage linkage NN cord-324395-v5uiuhih 8 4 of of IN cord-324395-v5uiuhih 8 5 a a DT cord-324395-v5uiuhih 8 6 carbohydrate carbohydrate NN cord-324395-v5uiuhih 8 7 to to IN cord-324395-v5uiuhih 8 8 the the DT cord-324395-v5uiuhih 8 9 nitrogen nitrogen NN cord-324395-v5uiuhih 8 10 atom atom NN cord-324395-v5uiuhih 8 11 of of IN cord-324395-v5uiuhih 8 12 an an DT cord-324395-v5uiuhih 8 13 asparagine asparagine NN cord-324395-v5uiuhih 8 14 , , , cord-324395-v5uiuhih 8 15 a a DT cord-324395-v5uiuhih 8 16 process process NN cord-324395-v5uiuhih 8 17 referred refer VBN cord-324395-v5uiuhih 8 18 to to IN cord-324395-v5uiuhih 8 19 as as IN cord-324395-v5uiuhih 8 20 N n CD cord-324395-v5uiuhih 8 21 - - HYPH cord-324395-v5uiuhih 8 22 linked link VBN cord-324395-v5uiuhih 8 23 glycosylation glycosylation NN cord-324395-v5uiuhih 8 24 , , , cord-324395-v5uiuhih 8 25 plays play VBZ cord-324395-v5uiuhih 8 26 an an DT cord-324395-v5uiuhih 8 27 important important JJ cord-324395-v5uiuhih 8 28 role role NN cord-324395-v5uiuhih 8 29 in in IN cord-324395-v5uiuhih 8 30 the the DT cord-324395-v5uiuhih 8 31 physiology physiology NN cord-324395-v5uiuhih 8 32 of of IN cord-324395-v5uiuhih 8 33 many many JJ cord-324395-v5uiuhih 8 34 living live VBG cord-324395-v5uiuhih 8 35 organisms organism NNS cord-324395-v5uiuhih 8 36 . . . cord-324395-v5uiuhih 9 1 Most Most JJS cord-324395-v5uiuhih 9 2 software software NN cord-324395-v5uiuhih 9 3 for for IN cord-324395-v5uiuhih 9 4 glycan glycan NN cord-324395-v5uiuhih 9 5 modeling modeling NN cord-324395-v5uiuhih 9 6 on on IN cord-324395-v5uiuhih 9 7 a a DT cord-324395-v5uiuhih 9 8 personal personal JJ cord-324395-v5uiuhih 9 9 desktop desktop NN cord-324395-v5uiuhih 9 10 computer computer NN cord-324395-v5uiuhih 9 11 requires require VBZ cord-324395-v5uiuhih 9 12 knowledge knowledge NN cord-324395-v5uiuhih 9 13 of of IN cord-324395-v5uiuhih 9 14 molecular molecular JJ cord-324395-v5uiuhih 9 15 dynamics dynamic NNS cord-324395-v5uiuhih 9 16 to to TO cord-324395-v5uiuhih 9 17 interface interface VB cord-324395-v5uiuhih 9 18 with with IN cord-324395-v5uiuhih 9 19 specialized specialized JJ cord-324395-v5uiuhih 9 20 programs program NNS cord-324395-v5uiuhih 9 21 such such JJ cord-324395-v5uiuhih 9 22 as as IN cord-324395-v5uiuhih 9 23 CHARMM CHARMM NNP cord-324395-v5uiuhih 9 24 or or CC cord-324395-v5uiuhih 9 25 AMBER AMBER NNP cord-324395-v5uiuhih 9 26 . . . cord-324395-v5uiuhih 10 1 There there EX cord-324395-v5uiuhih 10 2 are be VBP cord-324395-v5uiuhih 10 3 a a DT cord-324395-v5uiuhih 10 4 number number NN cord-324395-v5uiuhih 10 5 of of IN cord-324395-v5uiuhih 10 6 popular popular JJ cord-324395-v5uiuhih 10 7 web web NN cord-324395-v5uiuhih 10 8 - - HYPH cord-324395-v5uiuhih 10 9 based base VBN cord-324395-v5uiuhih 10 10 tools tool NNS cord-324395-v5uiuhih 10 11 that that WDT cord-324395-v5uiuhih 10 12 are be VBP cord-324395-v5uiuhih 10 13 available available JJ cord-324395-v5uiuhih 10 14 for for IN cord-324395-v5uiuhih 10 15 modeling model VBG cord-324395-v5uiuhih 10 16 glycans glycan NNS cord-324395-v5uiuhih 10 17 ( ( -LRB- cord-324395-v5uiuhih 10 18 e.g. e.g. RB cord-324395-v5uiuhih 10 19 , , , cord-324395-v5uiuhih 10 20 GLYCAM GLYCAM NNP cord-324395-v5uiuhih 10 21 - - HYPH cord-324395-v5uiuhih 10 22 WEB WEB NNP cord-324395-v5uiuhih 10 23 ( ( -LRB- cord-324395-v5uiuhih 10 24 http://https://dev.glycam.org http://https://dev.glycam.org NNS cord-324395-v5uiuhih 10 25 / / SYM cord-324395-v5uiuhih 10 26 gp/ gp/ JJ cord-324395-v5uiuhih 10 27 ) ) -RRB- cord-324395-v5uiuhih 10 28 or or CC cord-324395-v5uiuhih 10 29 Glycosciences.db glycosciences.db ADD cord-324395-v5uiuhih 11 1 ( ( -LRB- cord-324395-v5uiuhih 11 2 http://www.glycosciences.de/ http://www.glycosciences.de/ NNP cord-324395-v5uiuhih 11 3 ) ) -RRB- cord-324395-v5uiuhih 11 4 ) ) -RRB- cord-324395-v5uiuhih 11 5 . . . cord-324395-v5uiuhih 12 1 However however RB cord-324395-v5uiuhih 12 2 , , , cord-324395-v5uiuhih 12 3 these these DT cord-324395-v5uiuhih 12 4 web web NN cord-324395-v5uiuhih 12 5 - - HYPH cord-324395-v5uiuhih 12 6 based base VBN cord-324395-v5uiuhih 12 7 tools tool NNS cord-324395-v5uiuhih 12 8 are be VBP cord-324395-v5uiuhih 12 9 generally generally RB cord-324395-v5uiuhih 12 10 limited limit VBN cord-324395-v5uiuhih 12 11 to to IN cord-324395-v5uiuhih 12 12 a a DT cord-324395-v5uiuhih 12 13 few few JJ cord-324395-v5uiuhih 12 14 canonical canonical JJ cord-324395-v5uiuhih 12 15 glycan glycan NN cord-324395-v5uiuhih 12 16 conformations conformation NNS cord-324395-v5uiuhih 12 17 and and CC cord-324395-v5uiuhih 12 18 do do VBP cord-324395-v5uiuhih 12 19 not not RB cord-324395-v5uiuhih 12 20 allow allow VB cord-324395-v5uiuhih 12 21 the the DT cord-324395-v5uiuhih 12 22 user user NN cord-324395-v5uiuhih 12 23 to to TO cord-324395-v5uiuhih 12 24 incorporate incorporate VB cord-324395-v5uiuhih 12 25 glycan glycan NN cord-324395-v5uiuhih 12 26 modeling modeling NN cord-324395-v5uiuhih 12 27 into into IN cord-324395-v5uiuhih 12 28 their -PRON- PRP$ cord-324395-v5uiuhih 12 29 protein protein NN cord-324395-v5uiuhih 12 30 structure structure NN cord-324395-v5uiuhih 12 31 modeling modeling NN cord-324395-v5uiuhih 12 32 workflow workflow NN cord-324395-v5uiuhih 12 33 . . . cord-324395-v5uiuhih 13 1 RESULTS result NNS cord-324395-v5uiuhih 13 2 : : : cord-324395-v5uiuhih 14 1 Here here RB cord-324395-v5uiuhih 14 2 , , , cord-324395-v5uiuhih 14 3 we -PRON- PRP cord-324395-v5uiuhih 14 4 present present VBP cord-324395-v5uiuhih 14 5 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 14 6 , , , cord-324395-v5uiuhih 14 7 a a DT cord-324395-v5uiuhih 14 8 Python Python NNP cord-324395-v5uiuhih 14 9 framework framework NN cord-324395-v5uiuhih 14 10 for for IN cord-324395-v5uiuhih 14 11 the the DT cord-324395-v5uiuhih 14 12 identification identification NN cord-324395-v5uiuhih 14 13 , , , cord-324395-v5uiuhih 14 14 modeling modeling NN cord-324395-v5uiuhih 14 15 and and CC cord-324395-v5uiuhih 14 16 modification modification NN cord-324395-v5uiuhih 14 17 of of IN cord-324395-v5uiuhih 14 18 glycans glycan NNS cord-324395-v5uiuhih 14 19 in in IN cord-324395-v5uiuhih 14 20 protein protein NN cord-324395-v5uiuhih 14 21 structure structure NN cord-324395-v5uiuhih 14 22 that that WDT cord-324395-v5uiuhih 14 23 can can MD cord-324395-v5uiuhih 14 24 be be VB cord-324395-v5uiuhih 14 25 used use VBN cord-324395-v5uiuhih 14 26 directly directly RB cord-324395-v5uiuhih 14 27 in in IN cord-324395-v5uiuhih 14 28 a a DT cord-324395-v5uiuhih 14 29 Python Python NNP cord-324395-v5uiuhih 14 30 script script NN cord-324395-v5uiuhih 14 31 through through IN cord-324395-v5uiuhih 14 32 its -PRON- PRP$ cord-324395-v5uiuhih 14 33 application application NN cord-324395-v5uiuhih 14 34 programming programming NN cord-324395-v5uiuhih 14 35 interface interface NN cord-324395-v5uiuhih 14 36 ( ( -LRB- cord-324395-v5uiuhih 14 37 API API NNP cord-324395-v5uiuhih 14 38 ) ) -RRB- cord-324395-v5uiuhih 14 39 or or CC cord-324395-v5uiuhih 14 40 through through IN cord-324395-v5uiuhih 14 41 its -PRON- PRP$ cord-324395-v5uiuhih 14 42 graphical graphical JJ cord-324395-v5uiuhih 14 43 user user NN cord-324395-v5uiuhih 14 44 interface interface NN cord-324395-v5uiuhih 14 45 ( ( -LRB- cord-324395-v5uiuhih 14 46 GUI GUI NNP cord-324395-v5uiuhih 14 47 ) ) -RRB- cord-324395-v5uiuhih 14 48 . . . cord-324395-v5uiuhih 15 1 The the DT cord-324395-v5uiuhih 15 2 GUI GUI NNP cord-324395-v5uiuhih 15 3 provides provide VBZ cord-324395-v5uiuhih 15 4 a a DT cord-324395-v5uiuhih 15 5 straightforward straightforward JJ cord-324395-v5uiuhih 15 6 two two CD cord-324395-v5uiuhih 15 7 - - HYPH cord-324395-v5uiuhih 15 8 dimensional dimensional JJ cord-324395-v5uiuhih 15 9 ( ( -LRB- cord-324395-v5uiuhih 15 10 2D 2D NNP cord-324395-v5uiuhih 15 11 ) ) -RRB- cord-324395-v5uiuhih 15 12 rendering rendering NN cord-324395-v5uiuhih 15 13 of of IN cord-324395-v5uiuhih 15 14 a a DT cord-324395-v5uiuhih 15 15 glycoprotein glycoprotein NN cord-324395-v5uiuhih 15 16 that that WDT cord-324395-v5uiuhih 15 17 allows allow VBZ cord-324395-v5uiuhih 15 18 for for IN cord-324395-v5uiuhih 15 19 a a DT cord-324395-v5uiuhih 15 20 quick quick JJ cord-324395-v5uiuhih 15 21 visual visual JJ cord-324395-v5uiuhih 15 22 inspection inspection NN cord-324395-v5uiuhih 15 23 of of IN cord-324395-v5uiuhih 15 24 the the DT cord-324395-v5uiuhih 15 25 glycosylation glycosylation NN cord-324395-v5uiuhih 15 26 state state NN cord-324395-v5uiuhih 15 27 of of IN cord-324395-v5uiuhih 15 28 all all PDT cord-324395-v5uiuhih 15 29 the the DT cord-324395-v5uiuhih 15 30 sequons sequon NNS cord-324395-v5uiuhih 15 31 on on IN cord-324395-v5uiuhih 15 32 a a DT cord-324395-v5uiuhih 15 33 protein protein NN cord-324395-v5uiuhih 15 34 structure structure NN cord-324395-v5uiuhih 15 35 . . . cord-324395-v5uiuhih 16 1 Modeled model VBN cord-324395-v5uiuhih 16 2 glycans glycan NNS cord-324395-v5uiuhih 16 3 can can MD cord-324395-v5uiuhih 16 4 be be VB cord-324395-v5uiuhih 16 5 further further RB cord-324395-v5uiuhih 16 6 refined refine VBN cord-324395-v5uiuhih 16 7 by by IN cord-324395-v5uiuhih 16 8 a a DT cord-324395-v5uiuhih 16 9 genetic genetic JJ cord-324395-v5uiuhih 16 10 algorithm algorithm NN cord-324395-v5uiuhih 16 11 for for IN cord-324395-v5uiuhih 16 12 removing remove VBG cord-324395-v5uiuhih 16 13 clashes clash NNS cord-324395-v5uiuhih 16 14 and and CC cord-324395-v5uiuhih 16 15 sampling sampling NN cord-324395-v5uiuhih 16 16 alternative alternative JJ cord-324395-v5uiuhih 16 17 conformations conformation NNS cord-324395-v5uiuhih 16 18 . . . cord-324395-v5uiuhih 17 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 17 2 can can MD cord-324395-v5uiuhih 17 3 also also RB cord-324395-v5uiuhih 17 4 identify identify VB cord-324395-v5uiuhih 17 5 specific specific JJ cord-324395-v5uiuhih 17 6 three three CD cord-324395-v5uiuhih 17 7 - - HYPH cord-324395-v5uiuhih 17 8 dimensional dimensional JJ cord-324395-v5uiuhih 17 9 ( ( -LRB- cord-324395-v5uiuhih 17 10 3D 3D NNP cord-324395-v5uiuhih 17 11 ) ) -RRB- cord-324395-v5uiuhih 17 12 glycans glycan NNS cord-324395-v5uiuhih 17 13 on on IN cord-324395-v5uiuhih 17 14 a a DT cord-324395-v5uiuhih 17 15 protein protein NN cord-324395-v5uiuhih 17 16 structure structure NN cord-324395-v5uiuhih 17 17 using use VBG cord-324395-v5uiuhih 17 18 a a DT cord-324395-v5uiuhih 17 19 library library NN cord-324395-v5uiuhih 17 20 of of IN cord-324395-v5uiuhih 17 21 predefined predefined JJ cord-324395-v5uiuhih 17 22 templates template NNS cord-324395-v5uiuhih 17 23 . . . cord-324395-v5uiuhih 18 1 CONCLUSIONS conclusion NNS cord-324395-v5uiuhih 18 2 : : : cord-324395-v5uiuhih 19 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 19 2 was be VBD cord-324395-v5uiuhih 19 3 used use VBN cord-324395-v5uiuhih 19 4 to to TO cord-324395-v5uiuhih 19 5 generate generate VB cord-324395-v5uiuhih 19 6 models model NNS cord-324395-v5uiuhih 19 7 of of IN cord-324395-v5uiuhih 19 8 glycosylated glycosylated JJ cord-324395-v5uiuhih 19 9 protein protein NN cord-324395-v5uiuhih 19 10 without without IN cord-324395-v5uiuhih 19 11 steric steric JJ cord-324395-v5uiuhih 19 12 clashes clash NNS cord-324395-v5uiuhih 19 13 . . . cord-324395-v5uiuhih 20 1 Since since IN cord-324395-v5uiuhih 20 2 the the DT cord-324395-v5uiuhih 20 3 molecular molecular JJ cord-324395-v5uiuhih 20 4 topology topology NN cord-324395-v5uiuhih 20 5 is be VBZ cord-324395-v5uiuhih 20 6 based base VBN cord-324395-v5uiuhih 20 7 on on IN cord-324395-v5uiuhih 20 8 the the DT cord-324395-v5uiuhih 20 9 CHARMM CHARMM NNP cord-324395-v5uiuhih 20 10 force force NN cord-324395-v5uiuhih 20 11 field field NN cord-324395-v5uiuhih 20 12 , , , cord-324395-v5uiuhih 20 13 new new JJ cord-324395-v5uiuhih 20 14 complex complex JJ cord-324395-v5uiuhih 20 15 sugar sugar NN cord-324395-v5uiuhih 20 16 moieties moiety NNS cord-324395-v5uiuhih 20 17 can can MD cord-324395-v5uiuhih 20 18 be be VB cord-324395-v5uiuhih 20 19 generated generate VBN cord-324395-v5uiuhih 20 20 without without IN cord-324395-v5uiuhih 20 21 modifying modify VBG cord-324395-v5uiuhih 20 22 the the DT cord-324395-v5uiuhih 20 23 internals internal NNS cord-324395-v5uiuhih 20 24 of of IN cord-324395-v5uiuhih 20 25 the the DT cord-324395-v5uiuhih 20 26 code code NN cord-324395-v5uiuhih 20 27 . . . cord-324395-v5uiuhih 21 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 21 2 provides provide VBZ cord-324395-v5uiuhih 21 3 more more JJR cord-324395-v5uiuhih 21 4 functionality functionality NN cord-324395-v5uiuhih 21 5 for for IN cord-324395-v5uiuhih 21 6 analyzing analyze VBG cord-324395-v5uiuhih 21 7 and and CC cord-324395-v5uiuhih 21 8 modeling model VBG cord-324395-v5uiuhih 21 9 glycans glycan NNS cord-324395-v5uiuhih 21 10 than than IN cord-324395-v5uiuhih 21 11 any any DT cord-324395-v5uiuhih 21 12 other other JJ cord-324395-v5uiuhih 21 13 available available JJ cord-324395-v5uiuhih 21 14 software software NN cord-324395-v5uiuhih 21 15 or or CC cord-324395-v5uiuhih 21 16 webserver webserver NN cord-324395-v5uiuhih 21 17 at at IN cord-324395-v5uiuhih 21 18 present present NN cord-324395-v5uiuhih 21 19 . . . cord-324395-v5uiuhih 22 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 22 2 will will MD cord-324395-v5uiuhih 22 3 be be VB cord-324395-v5uiuhih 22 4 a a DT cord-324395-v5uiuhih 22 5 valuable valuable JJ cord-324395-v5uiuhih 22 6 tool tool NN cord-324395-v5uiuhih 22 7 for for IN cord-324395-v5uiuhih 22 8 the the DT cord-324395-v5uiuhih 22 9 glycoinformatics glycoinformatic NNS cord-324395-v5uiuhih 22 10 and and CC cord-324395-v5uiuhih 22 11 biomolecular biomolecular JJ cord-324395-v5uiuhih 22 12 modeling modeling NN cord-324395-v5uiuhih 22 13 communities community NNS cord-324395-v5uiuhih 22 14 . . . cord-324395-v5uiuhih 23 1 Glycosylation glycosylation NN cord-324395-v5uiuhih 23 2 is be VBZ cord-324395-v5uiuhih 23 3 an an DT cord-324395-v5uiuhih 23 4 important important JJ cord-324395-v5uiuhih 23 5 post post JJ cord-324395-v5uiuhih 23 6 - - JJ cord-324395-v5uiuhih 23 7 translational translational JJ cord-324395-v5uiuhih 23 8 modification modification NN cord-324395-v5uiuhih 23 9 of of IN cord-324395-v5uiuhih 23 10 proteins protein NNS cord-324395-v5uiuhih 23 11 , , , cord-324395-v5uiuhih 23 12 where where WRB cord-324395-v5uiuhih 23 13 a a DT cord-324395-v5uiuhih 23 14 carbohydrate carbohydrate NN cord-324395-v5uiuhih 23 15 is be VBZ cord-324395-v5uiuhih 23 16 covalently covalently RB cord-324395-v5uiuhih 23 17 attached attach VBN cord-324395-v5uiuhih 23 18 by by IN cord-324395-v5uiuhih 23 19 an an DT cord-324395-v5uiuhih 23 20 enzyme enzyme NN cord-324395-v5uiuhih 23 21 to to IN cord-324395-v5uiuhih 23 22 specific specific JJ cord-324395-v5uiuhih 23 23 amino amino JJ cord-324395-v5uiuhih 23 24 acids acid NNS cord-324395-v5uiuhih 23 25 motifs motif NNS cord-324395-v5uiuhih 23 26 known know VBN cord-324395-v5uiuhih 23 27 as as IN cord-324395-v5uiuhih 23 28 sequons sequon NNS cord-324395-v5uiuhih 23 29 space space NN cord-324395-v5uiuhih 23 30 [ [ -LRB- cord-324395-v5uiuhih 23 31 1 1 CD cord-324395-v5uiuhih 23 32 ] ] -RRB- cord-324395-v5uiuhih 23 33 [ [ -LRB- cord-324395-v5uiuhih 23 34 2 2 CD cord-324395-v5uiuhih 23 35 ] ] -RRB- cord-324395-v5uiuhih 23 36 [ [ -LRB- cord-324395-v5uiuhih 23 37 3 3 CD cord-324395-v5uiuhih 23 38 ] ] -RRB- cord-324395-v5uiuhih 23 39 [ [ -LRB- cord-324395-v5uiuhih 23 40 4 4 CD cord-324395-v5uiuhih 23 41 ] ] -RRB- cord-324395-v5uiuhih 23 42 . . . cord-324395-v5uiuhih 24 1 Glycosylation Glycosylation NNP cord-324395-v5uiuhih 24 2 has have VBZ cord-324395-v5uiuhih 24 3 several several JJ cord-324395-v5uiuhih 24 4 principal principal JJ cord-324395-v5uiuhih 24 5 structural structural JJ cord-324395-v5uiuhih 24 6 and and CC cord-324395-v5uiuhih 24 7 functional functional JJ cord-324395-v5uiuhih 24 8 roles role NNS cord-324395-v5uiuhih 24 9 in in IN cord-324395-v5uiuhih 24 10 biology biology NN cord-324395-v5uiuhih 24 11 , , , cord-324395-v5uiuhih 24 12 that that WDT cord-324395-v5uiuhih 24 13 include include VBP cord-324395-v5uiuhih 24 14 protein protein NN cord-324395-v5uiuhih 24 15 folding fold VBG cord-324395-v5uiuhih 24 16 [ [ -LRB- cord-324395-v5uiuhih 24 17 5 5 CD cord-324395-v5uiuhih 24 18 ] ] -RRB- cord-324395-v5uiuhih 24 19 , , , cord-324395-v5uiuhih 24 20 tissue tissue NN cord-324395-v5uiuhih 24 21 repair repair NN cord-324395-v5uiuhih 24 22 [ [ -LRB- cord-324395-v5uiuhih 24 23 6 6 CD cord-324395-v5uiuhih 24 24 ] ] -RRB- cord-324395-v5uiuhih 24 25 , , , cord-324395-v5uiuhih 24 26 and and CC cord-324395-v5uiuhih 24 27 cell cell NN cord-324395-v5uiuhih 24 28 migration migration NN cord-324395-v5uiuhih 24 29 [ [ -LRB- cord-324395-v5uiuhih 24 30 7 7 CD cord-324395-v5uiuhih 24 31 ] ] -RRB- cord-324395-v5uiuhih 24 32 . . . cord-324395-v5uiuhih 25 1 In in IN cord-324395-v5uiuhih 25 2 eukaryotes eukaryote NNS cord-324395-v5uiuhih 25 3 , , , cord-324395-v5uiuhih 25 4 nearly nearly RB cord-324395-v5uiuhih 25 5 70 70 CD cord-324395-v5uiuhih 25 6 % % NN cord-324395-v5uiuhih 25 7 of of IN cord-324395-v5uiuhih 25 8 the the DT cord-324395-v5uiuhih 25 9 proteome proteome NN cord-324395-v5uiuhih 25 10 is be VBZ cord-324395-v5uiuhih 25 11 believed believe VBN cord-324395-v5uiuhih 25 12 to to TO cord-324395-v5uiuhih 25 13 be be VB cord-324395-v5uiuhih 25 14 glycosylated glycosylate VBN cord-324395-v5uiuhih 25 15 [ [ -LRB- cord-324395-v5uiuhih 25 16 8 8 CD cord-324395-v5uiuhih 25 17 ] ] -RRB- cord-324395-v5uiuhih 25 18 . . . cord-324395-v5uiuhih 26 1 More more RBR cord-324395-v5uiuhih 26 2 recently recently RB cord-324395-v5uiuhih 26 3 , , , cord-324395-v5uiuhih 26 4 glycosylation glycosylation NN cord-324395-v5uiuhih 26 5 has have VBZ cord-324395-v5uiuhih 26 6 been be VBN cord-324395-v5uiuhih 26 7 observed observe VBN cord-324395-v5uiuhih 26 8 in in IN cord-324395-v5uiuhih 26 9 bacteria bacteria NNS cord-324395-v5uiuhih 26 10 where where WRB cord-324395-v5uiuhih 26 11 it -PRON- PRP cord-324395-v5uiuhih 26 12 has have VBZ cord-324395-v5uiuhih 26 13 been be VBN cord-324395-v5uiuhih 26 14 associated associate VBN cord-324395-v5uiuhih 26 15 with with IN cord-324395-v5uiuhih 26 16 their -PRON- PRP$ cord-324395-v5uiuhih 26 17 virulence virulence NN cord-324395-v5uiuhih 26 18 and and CC cord-324395-v5uiuhih 26 19 the the DT cord-324395-v5uiuhih 26 20 formation formation NN cord-324395-v5uiuhih 26 21 of of IN cord-324395-v5uiuhih 26 22 biofilms biofilm NNS cord-324395-v5uiuhih 26 23 [ [ -LRB- cord-324395-v5uiuhih 26 24 9 9 CD cord-324395-v5uiuhih 26 25 ] ] -RRB- cord-324395-v5uiuhih 26 26 . . . cord-324395-v5uiuhih 27 1 For for IN cord-324395-v5uiuhih 27 2 viruses virus NNS cord-324395-v5uiuhih 27 3 , , , cord-324395-v5uiuhih 27 4 such such JJ cord-324395-v5uiuhih 27 5 as as IN cord-324395-v5uiuhih 27 6 HIV HIV NNP cord-324395-v5uiuhih 27 7 and and CC cord-324395-v5uiuhih 27 8 Influenza Influenza NNP cord-324395-v5uiuhih 27 9 , , , cord-324395-v5uiuhih 27 10 glycosylation glycosylation NN cord-324395-v5uiuhih 27 11 allows allow VBZ cord-324395-v5uiuhih 27 12 for for IN cord-324395-v5uiuhih 27 13 evasion evasion NN cord-324395-v5uiuhih 27 14 of of IN cord-324395-v5uiuhih 27 15 the the DT cord-324395-v5uiuhih 27 16 host host NN cord-324395-v5uiuhih 27 17 's 's POS cord-324395-v5uiuhih 27 18 immune immune JJ cord-324395-v5uiuhih 27 19 system system NN cord-324395-v5uiuhih 27 20 [ [ -LRB- cord-324395-v5uiuhih 27 21 10 10 CD cord-324395-v5uiuhih 27 22 , , , cord-324395-v5uiuhih 27 23 11 11 CD cord-324395-v5uiuhih 27 24 ] ] -RRB- cord-324395-v5uiuhih 27 25 . . . cord-324395-v5uiuhih 28 1 Thus thus RB cord-324395-v5uiuhih 28 2 , , , cord-324395-v5uiuhih 28 3 determining determine VBG cord-324395-v5uiuhih 28 4 the the DT cord-324395-v5uiuhih 28 5 role role NN cord-324395-v5uiuhih 28 6 of of IN cord-324395-v5uiuhih 28 7 glycan glycan NN cord-324395-v5uiuhih 28 8 structure structure NN cord-324395-v5uiuhih 28 9 in in IN cord-324395-v5uiuhih 28 10 biology biology NN cord-324395-v5uiuhih 28 11 is be VBZ cord-324395-v5uiuhih 28 12 essential essential JJ cord-324395-v5uiuhih 28 13 in in IN cord-324395-v5uiuhih 28 14 order order NN cord-324395-v5uiuhih 28 15 to to TO cord-324395-v5uiuhih 28 16 understand understand VB cord-324395-v5uiuhih 28 17 pathogenesis pathogenesis NN cord-324395-v5uiuhih 28 18 . . . cord-324395-v5uiuhih 29 1 The the DT cord-324395-v5uiuhih 29 2 diverse diverse JJ cord-324395-v5uiuhih 29 3 and and CC cord-324395-v5uiuhih 29 4 dynamic dynamic JJ cord-324395-v5uiuhih 29 5 nature nature NN cord-324395-v5uiuhih 29 6 of of IN cord-324395-v5uiuhih 29 7 glycan glycan NN cord-324395-v5uiuhih 29 8 structures structure NNS cord-324395-v5uiuhih 29 9 makes make VBZ cord-324395-v5uiuhih 29 10 it -PRON- PRP cord-324395-v5uiuhih 29 11 difficult difficult JJ cord-324395-v5uiuhih 29 12 to to TO cord-324395-v5uiuhih 29 13 resolve resolve VB cord-324395-v5uiuhih 29 14 their -PRON- PRP$ cord-324395-v5uiuhih 29 15 structure structure NN cord-324395-v5uiuhih 29 16 experimentally experimentally RB cord-324395-v5uiuhih 29 17 through through IN cord-324395-v5uiuhih 29 18 traditional traditional JJ cord-324395-v5uiuhih 29 19 approaches approach NNS cord-324395-v5uiuhih 29 20 ( ( -LRB- cord-324395-v5uiuhih 29 21 e.g. e.g. RB cord-324395-v5uiuhih 29 22 , , , cord-324395-v5uiuhih 29 23 x x NN cord-324395-v5uiuhih 29 24 - - NN cord-324395-v5uiuhih 29 25 ray ray NN cord-324395-v5uiuhih 29 26 crystallography crystallography NN cord-324395-v5uiuhih 29 27 , , , cord-324395-v5uiuhih 29 28 cryogenic cryogenic JJ cord-324395-v5uiuhih 29 29 electron electron NN cord-324395-v5uiuhih 29 30 microscopy microscopy NN cord-324395-v5uiuhih 29 31 ( ( -LRB- cord-324395-v5uiuhih 29 32 cryo cryo NN cord-324395-v5uiuhih 29 33 - - HYPH cord-324395-v5uiuhih 29 34 EM EM NNP cord-324395-v5uiuhih 29 35 ) ) -RRB- cord-324395-v5uiuhih 29 36 or or CC cord-324395-v5uiuhih 29 37 nuclear nuclear JJ cord-324395-v5uiuhih 29 38 magnetic magnetic JJ cord-324395-v5uiuhih 29 39 resonance resonance NN cord-324395-v5uiuhih 29 40 ( ( -LRB- cord-324395-v5uiuhih 29 41 NMR NMR NNP cord-324395-v5uiuhih 29 42 ) ) -RRB- cord-324395-v5uiuhih 29 43 ) ) -RRB- cord-324395-v5uiuhih 29 44 . . . cord-324395-v5uiuhih 30 1 Computational computational JJ cord-324395-v5uiuhih 30 2 methods method NNS cord-324395-v5uiuhih 30 3 , , , cord-324395-v5uiuhih 30 4 such such JJ cord-324395-v5uiuhih 30 5 as as IN cord-324395-v5uiuhih 30 6 molecular molecular JJ cord-324395-v5uiuhih 30 7 dynamics dynamic NNS cord-324395-v5uiuhih 30 8 ( ( -LRB- cord-324395-v5uiuhih 30 9 MD MD NNP cord-324395-v5uiuhih 30 10 ) ) -RRB- cord-324395-v5uiuhih 30 11 can can MD cord-324395-v5uiuhih 30 12 help help VB cord-324395-v5uiuhih 30 13 resolve resolve VB cord-324395-v5uiuhih 30 14 glycan glycan NN cord-324395-v5uiuhih 30 15 dynamics dynamic NNS cord-324395-v5uiuhih 30 16 but but CC cord-324395-v5uiuhih 30 17 this this DT cord-324395-v5uiuhih 30 18 method method NN cord-324395-v5uiuhih 30 19 is be VBZ cord-324395-v5uiuhih 30 20 computationally computationally RB cord-324395-v5uiuhih 30 21 intensive intensive JJ cord-324395-v5uiuhih 30 22 and and CC cord-324395-v5uiuhih 30 23 can can MD cord-324395-v5uiuhih 30 24 not not RB cord-324395-v5uiuhih 30 25 be be VB cord-324395-v5uiuhih 30 26 used use VBN cord-324395-v5uiuhih 30 27 for for IN cord-324395-v5uiuhih 30 28 the the DT cord-324395-v5uiuhih 30 29 rapid rapid JJ cord-324395-v5uiuhih 30 30 modeling modeling NN cord-324395-v5uiuhih 30 31 of of IN cord-324395-v5uiuhih 30 32 glycan glycan NN cord-324395-v5uiuhih 30 33 structure structure NN cord-324395-v5uiuhih 30 34 . . . cord-324395-v5uiuhih 31 1 Complementary complementary JJ cord-324395-v5uiuhih 31 2 techniques technique NNS cord-324395-v5uiuhih 31 3 that that WDT cord-324395-v5uiuhih 31 4 are be VBP cord-324395-v5uiuhih 31 5 more more RBR cord-324395-v5uiuhih 31 6 rapid rapid JJ cord-324395-v5uiuhih 31 7 and and CC cord-324395-v5uiuhih 31 8 available available JJ cord-324395-v5uiuhih 31 9 through through IN cord-324395-v5uiuhih 31 10 a a DT cord-324395-v5uiuhih 31 11 graphical graphical JJ cord-324395-v5uiuhih 31 12 user user NN cord-324395-v5uiuhih 31 13 interface interface NN cord-324395-v5uiuhih 31 14 ( ( -LRB- cord-324395-v5uiuhih 31 15 GUI GUI NNP cord-324395-v5uiuhih 31 16 ) ) -RRB- cord-324395-v5uiuhih 31 17 should should MD cord-324395-v5uiuhih 31 18 allow allow VB cord-324395-v5uiuhih 31 19 users user NNS cord-324395-v5uiuhih 31 20 to to TO cord-324395-v5uiuhih 31 21 gain gain VB cord-324395-v5uiuhih 31 22 new new JJ cord-324395-v5uiuhih 31 23 insights insight NNS cord-324395-v5uiuhih 31 24 into into IN cord-324395-v5uiuhih 31 25 glycanprotein glycanprotein NNP cord-324395-v5uiuhih 31 26 structure structure NN cord-324395-v5uiuhih 31 27 . . . cord-324395-v5uiuhih 32 1 In in IN cord-324395-v5uiuhih 32 2 silico silico NN cord-324395-v5uiuhih 32 3 modeling modeling NN cord-324395-v5uiuhih 32 4 of of IN cord-324395-v5uiuhih 32 5 glycoprotein glycoprotein NN cord-324395-v5uiuhih 32 6 is be VBZ cord-324395-v5uiuhih 32 7 a a DT cord-324395-v5uiuhih 32 8 tedious tedious JJ cord-324395-v5uiuhih 32 9 and and CC cord-324395-v5uiuhih 32 10 time time NN cord-324395-v5uiuhih 32 11 consuming consume VBG cord-324395-v5uiuhih 32 12 process process NN cord-324395-v5uiuhih 32 13 and and CC cord-324395-v5uiuhih 32 14 tools tool NNS cord-324395-v5uiuhih 32 15 , , , cord-324395-v5uiuhih 32 16 such such JJ cord-324395-v5uiuhih 32 17 as as IN cord-324395-v5uiuhih 32 18 Carb Carb NNP cord-324395-v5uiuhih 32 19 - - HYPH cord-324395-v5uiuhih 32 20 Builder Builder NNP cord-324395-v5uiuhih 32 21 [ [ -LRB- cord-324395-v5uiuhih 32 22 12 12 CD cord-324395-v5uiuhih 32 23 ] ] -RRB- cord-324395-v5uiuhih 32 24 , , , cord-324395-v5uiuhih 32 25 POLYS POLYS NNP cord-324395-v5uiuhih 32 26 [ [ -LRB- cord-324395-v5uiuhih 32 27 13 13 CD cord-324395-v5uiuhih 32 28 ] ] -RRB- cord-324395-v5uiuhih 32 29 , , , cord-324395-v5uiuhih 32 30 doGlycans doGlycans NNP cord-324395-v5uiuhih 32 31 [ [ -LRB- cord-324395-v5uiuhih 32 32 14 14 CD cord-324395-v5uiuhih 32 33 ] ] -RRB- cord-324395-v5uiuhih 32 34 , , , cord-324395-v5uiuhih 32 35 SWEET SWEET NNP cord-324395-v5uiuhih 32 36 - - HYPH cord-324395-v5uiuhih 32 37 II II NNP cord-324395-v5uiuhih 32 38 [ [ -LRB- cord-324395-v5uiuhih 32 39 15 15 CD cord-324395-v5uiuhih 32 40 ] ] -RRB- cord-324395-v5uiuhih 32 41 , , , cord-324395-v5uiuhih 32 42 GLYCAM GLYCAM NNP cord-324395-v5uiuhih 32 43 - - HYPH cord-324395-v5uiuhih 32 44 Web Web NNP cord-324395-v5uiuhih 32 45 [ [ -LRB- cord-324395-v5uiuhih 32 46 16 16 CD cord-324395-v5uiuhih 32 47 ] ] -RRB- cord-324395-v5uiuhih 32 48 , , , cord-324395-v5uiuhih 32 49 Glycan Glycan NNP cord-324395-v5uiuhih 32 50 Reader Reader NNP cord-324395-v5uiuhih 32 51 [ [ -LRB- cord-324395-v5uiuhih 32 52 17 17 CD cord-324395-v5uiuhih 32 53 , , , cord-324395-v5uiuhih 32 54 18 18 CD cord-324395-v5uiuhih 32 55 ] ] -RRB- cord-324395-v5uiuhih 32 56 and and CC cord-324395-v5uiuhih 32 57 CHARMM CHARMM NNP cord-324395-v5uiuhih 32 58 - - HYPH cord-324395-v5uiuhih 32 59 GUI gui NN cord-324395-v5uiuhih 32 60 glycan glycan NN cord-324395-v5uiuhih 32 61 modeler modeler NN cord-324395-v5uiuhih 32 62 [ [ -LRB- cord-324395-v5uiuhih 32 63 19 19 CD cord-324395-v5uiuhih 32 64 ] ] -RRB- cord-324395-v5uiuhih 32 65 were be VBD cord-324395-v5uiuhih 32 66 developed develop VBN cord-324395-v5uiuhih 32 67 to to TO cord-324395-v5uiuhih 32 68 facilitate facilitate VB cord-324395-v5uiuhih 32 69 the the DT cord-324395-v5uiuhih 32 70 modeling modeling NN cord-324395-v5uiuhih 32 71 of of IN cord-324395-v5uiuhih 32 72 glycans glycan NNS cord-324395-v5uiuhih 32 73 . . . cord-324395-v5uiuhih 33 1 CarbBuilder CarbBuilder NNP cord-324395-v5uiuhih 33 2 , , , cord-324395-v5uiuhih 33 3 POLYS POLYS NNP cord-324395-v5uiuhih 33 4 and and CC cord-324395-v5uiuhih 33 5 doGlycans doglycan NNS cord-324395-v5uiuhih 33 6 are be VBP cord-324395-v5uiuhih 33 7 open open JJ cord-324395-v5uiuhih 33 8 source source NN cord-324395-v5uiuhih 33 9 programs program NNS cord-324395-v5uiuhih 33 10 that that WDT cord-324395-v5uiuhih 33 11 allow allow VBP cord-324395-v5uiuhih 33 12 building building NN cord-324395-v5uiuhih 33 13 glycan glycan NN cord-324395-v5uiuhih 33 14 structures structure NNS cord-324395-v5uiuhih 33 15 from from IN cord-324395-v5uiuhih 33 16 their -PRON- PRP$ cord-324395-v5uiuhih 33 17 primary primary JJ cord-324395-v5uiuhih 33 18 sequence sequence NN cord-324395-v5uiuhih 33 19 of of IN cord-324395-v5uiuhih 33 20 monosaccharide monosaccharide NN cord-324395-v5uiuhih 33 21 units unit NNS cord-324395-v5uiuhih 33 22 . . . cord-324395-v5uiuhih 34 1 SWEET SWEET NNP cord-324395-v5uiuhih 34 2 - - HYPH cord-324395-v5uiuhih 34 3 II II NNP cord-324395-v5uiuhih 34 4 is be VBZ cord-324395-v5uiuhih 34 5 part part NN cord-324395-v5uiuhih 34 6 of of IN cord-324395-v5uiuhih 34 7 the the DT cord-324395-v5uiuhih 34 8 website website NN cord-324395-v5uiuhih 34 9 Glycosciences Glycosciences NNP cord-324395-v5uiuhih 34 10 . . . cord-324395-v5uiuhih 35 1 DB DB NNP cord-324395-v5uiuhih 35 2 [ [ -LRB- cord-324395-v5uiuhih 35 3 20 20 CD cord-324395-v5uiuhih 35 4 ] ] -RRB- cord-324395-v5uiuhih 35 5 and and CC cord-324395-v5uiuhih 35 6 can can MD cord-324395-v5uiuhih 35 7 be be VB cord-324395-v5uiuhih 35 8 used use VBN cord-324395-v5uiuhih 35 9 to to TO cord-324395-v5uiuhih 35 10 build build VB cord-324395-v5uiuhih 35 11 3D 3d JJ cord-324395-v5uiuhih 35 12 structures structure NNS cord-324395-v5uiuhih 35 13 of of IN cord-324395-v5uiuhih 35 14 glycans glycan NNS cord-324395-v5uiuhih 35 15 . . . cord-324395-v5uiuhih 36 1 Furthermore furthermore RB cord-324395-v5uiuhih 36 2 , , , cord-324395-v5uiuhih 36 3 the the DT cord-324395-v5uiuhih 36 4 website website NN cord-324395-v5uiuhih 36 5 provides provide VBZ cord-324395-v5uiuhih 36 6 a a DT cord-324395-v5uiuhih 36 7 number number NN cord-324395-v5uiuhih 36 8 of of IN cord-324395-v5uiuhih 36 9 tools tool NNS cord-324395-v5uiuhih 36 10 for for IN cord-324395-v5uiuhih 36 11 manipulating manipulate VBG cord-324395-v5uiuhih 36 12 and and CC cord-324395-v5uiuhih 36 13 analyzing analyze VBG cord-324395-v5uiuhih 36 14 glycans glycan NNS cord-324395-v5uiuhih 36 15 . . . cord-324395-v5uiuhih 37 1 GLYCAM GLYCAM NNP cord-324395-v5uiuhih 37 2 - - HYPH cord-324395-v5uiuhih 37 3 Web Web NNP cord-324395-v5uiuhih 37 4 offers offer VBZ cord-324395-v5uiuhih 37 5 several several JJ cord-324395-v5uiuhih 37 6 options option NNS cord-324395-v5uiuhih 37 7 that that WDT cord-324395-v5uiuhih 37 8 simplify simplify VBP cord-324395-v5uiuhih 37 9 the the DT cord-324395-v5uiuhih 37 10 building building NN cord-324395-v5uiuhih 37 11 and and CC cord-324395-v5uiuhih 37 12 set set NN cord-324395-v5uiuhih 37 13 - - HYPH cord-324395-v5uiuhih 37 14 up up NN cord-324395-v5uiuhih 37 15 of of IN cord-324395-v5uiuhih 37 16 molecular molecular JJ cord-324395-v5uiuhih 37 17 dynamics dynamic NNS cord-324395-v5uiuhih 37 18 simulations simulation NNS cord-324395-v5uiuhih 37 19 of of IN cord-324395-v5uiuhih 37 20 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 37 21 . . . cord-324395-v5uiuhih 38 1 It -PRON- PRP cord-324395-v5uiuhih 38 2 uses use VBZ cord-324395-v5uiuhih 38 3 the the DT cord-324395-v5uiuhih 38 4 GLYCAM GLYCAM NNP cord-324395-v5uiuhih 38 5 force force NN cord-324395-v5uiuhih 38 6 field field NN cord-324395-v5uiuhih 38 7 [ [ -LRB- cord-324395-v5uiuhih 38 8 21 21 CD cord-324395-v5uiuhih 38 9 ] ] -RRB- cord-324395-v5uiuhih 38 10 that that WDT cord-324395-v5uiuhih 38 11 is be VBZ cord-324395-v5uiuhih 38 12 compatible compatible JJ cord-324395-v5uiuhih 38 13 with with IN cord-324395-v5uiuhih 38 14 the the DT cord-324395-v5uiuhih 38 15 AMBER AMBER NNP cord-324395-v5uiuhih 38 16 force force NN cord-324395-v5uiuhih 38 17 field field NN cord-324395-v5uiuhih 38 18 . . . cord-324395-v5uiuhih 39 1 Finally finally RB cord-324395-v5uiuhih 39 2 , , , cord-324395-v5uiuhih 39 3 Glycan Glycan NNP cord-324395-v5uiuhih 39 4 Reader Reader NNP cord-324395-v5uiuhih 39 5 recognizes recognize VBZ cord-324395-v5uiuhih 39 6 most most JJS cord-324395-v5uiuhih 39 7 types type NNS cord-324395-v5uiuhih 39 8 of of IN cord-324395-v5uiuhih 39 9 glycans glycan NNS cord-324395-v5uiuhih 39 10 and and CC cord-324395-v5uiuhih 39 11 their -PRON- PRP$ cord-324395-v5uiuhih 39 12 chemical chemical NN cord-324395-v5uiuhih 39 13 modifications modification NNS cord-324395-v5uiuhih 39 14 found find VBN cord-324395-v5uiuhih 39 15 in in IN cord-324395-v5uiuhih 39 16 the the DT cord-324395-v5uiuhih 39 17 Protein Protein NNP cord-324395-v5uiuhih 39 18 Data Data NNP cord-324395-v5uiuhih 39 19 Bank Bank NNP cord-324395-v5uiuhih 39 20 ( ( -LRB- cord-324395-v5uiuhih 39 21 PDB PDB NNP cord-324395-v5uiuhih 39 22 ) ) -RRB- cord-324395-v5uiuhih 39 23 , , , cord-324395-v5uiuhih 39 24 which which WDT cord-324395-v5uiuhih 39 25 are be VBP cord-324395-v5uiuhih 39 26 all all DT cord-324395-v5uiuhih 39 27 available available JJ cord-324395-v5uiuhih 39 28 in in IN cord-324395-v5uiuhih 39 29 the the DT cord-324395-v5uiuhih 39 30 CHARMM CHARMM NNP cord-324395-v5uiuhih 39 31 force force NN cord-324395-v5uiuhih 39 32 field field NN cord-324395-v5uiuhih 39 33 [ [ -LRB- cord-324395-v5uiuhih 39 34 22 22 CD cord-324395-v5uiuhih 39 35 ] ] -RRB- cord-324395-v5uiuhih 39 36 . . . cord-324395-v5uiuhih 40 1 It -PRON- PRP cord-324395-v5uiuhih 40 2 also also RB cord-324395-v5uiuhih 40 3 provides provide VBZ cord-324395-v5uiuhih 40 4 the the DT cord-324395-v5uiuhih 40 5 option option NN cord-324395-v5uiuhih 40 6 for for IN cord-324395-v5uiuhih 40 7 editing edit VBG cord-324395-v5uiuhih 40 8 their -PRON- PRP$ cord-324395-v5uiuhih 40 9 threedimensional threedimensional JJ cord-324395-v5uiuhih 40 10 structure structure NN cord-324395-v5uiuhih 40 11 . . . cord-324395-v5uiuhih 41 1 Glycan Glycan NNP cord-324395-v5uiuhih 41 2 Modeler Modeler NNP cord-324395-v5uiuhih 41 3 generates generate VBZ cord-324395-v5uiuhih 41 4 complex complex JJ cord-324395-v5uiuhih 41 5 glycans glycan NNS cord-324395-v5uiuhih 41 6 and and CC cord-324395-v5uiuhih 41 7 glycoconjugates glycoconjugate NNS cord-324395-v5uiuhih 41 8 by by IN cord-324395-v5uiuhih 41 9 searching search VBG cord-324395-v5uiuhih 41 10 templates template NNS cord-324395-v5uiuhih 41 11 from from IN cord-324395-v5uiuhih 41 12 a a DT cord-324395-v5uiuhih 41 13 fragment fragment NN cord-324395-v5uiuhih 41 14 database database NN cord-324395-v5uiuhih 41 15 . . . cord-324395-v5uiuhih 42 1 Glycan Glycan NNP cord-324395-v5uiuhih 42 2 Reader Reader NNP cord-324395-v5uiuhih 42 3 and and CC cord-324395-v5uiuhih 42 4 Modeler Modeler NNP cord-324395-v5uiuhih 42 5 have have VBP cord-324395-v5uiuhih 42 6 both both DT cord-324395-v5uiuhih 42 7 been be VBN cord-324395-v5uiuhih 42 8 integrated integrate VBN cord-324395-v5uiuhih 42 9 into into IN cord-324395-v5uiuhih 42 10 CHARMM CHARMM NNP cord-324395-v5uiuhih 42 11 - - HYPH cord-324395-v5uiuhih 42 12 GUI GUI NNP cord-324395-v5uiuhih 42 13 [ [ -LRB- cord-324395-v5uiuhih 42 14 23 23 CD cord-324395-v5uiuhih 42 15 ] ] -RRB- cord-324395-v5uiuhih 42 16 , , , cord-324395-v5uiuhih 42 17 a a DT cord-324395-v5uiuhih 42 18 powerful powerful JJ cord-324395-v5uiuhih 42 19 website website NN cord-324395-v5uiuhih 42 20 widely widely RB cord-324395-v5uiuhih 42 21 employed employ VBN cord-324395-v5uiuhih 42 22 for for IN cord-324395-v5uiuhih 42 23 setting set VBG cord-324395-v5uiuhih 42 24 up up RP cord-324395-v5uiuhih 42 25 molecular molecular JJ cord-324395-v5uiuhih 42 26 dynamics dynamic NNS cord-324395-v5uiuhih 42 27 simulation simulation NN cord-324395-v5uiuhih 42 28 . . . cord-324395-v5uiuhih 43 1 In in IN cord-324395-v5uiuhih 43 2 addition addition NN cord-324395-v5uiuhih 43 3 , , , cord-324395-v5uiuhih 43 4 CHARMM CHARMM NNP cord-324395-v5uiuhih 43 5 - - HYPH cord-324395-v5uiuhih 43 6 GUI GUI NNP cord-324395-v5uiuhih 43 7 provides provide VBZ cord-324395-v5uiuhih 43 8 the the DT cord-324395-v5uiuhih 43 9 functionality functionality NN cord-324395-v5uiuhih 43 10 for for IN cord-324395-v5uiuhih 43 11 modelling model VBG cord-324395-v5uiuhih 43 12 glycolipids glycolipid NNS cord-324395-v5uiuhih 43 13 and and CC cord-324395-v5uiuhih 43 14 lipopolysaccharides lipopolysaccharides NNP cord-324395-v5uiuhih 43 15 ( ( -LRB- cord-324395-v5uiuhih 43 16 LPS LPS NNP cord-324395-v5uiuhih 43 17 ) ) -RRB- cord-324395-v5uiuhih 43 18 and and CC cord-324395-v5uiuhih 43 19 to to TO cord-324395-v5uiuhih 43 20 combine combine VB cord-324395-v5uiuhih 43 21 them -PRON- PRP cord-324395-v5uiuhih 43 22 with with IN cord-324395-v5uiuhih 43 23 complex complex JJ cord-324395-v5uiuhih 43 24 biological biological JJ cord-324395-v5uiuhih 43 25 membrane membrane NN cord-324395-v5uiuhih 43 26 simulations simulation NNS cord-324395-v5uiuhih 43 27 [ [ -LRB- cord-324395-v5uiuhih 43 28 24 24 CD cord-324395-v5uiuhih 43 29 ] ] -RRB- cord-324395-v5uiuhih 43 30 . . . cord-324395-v5uiuhih 44 1 While while IN cord-324395-v5uiuhih 44 2 many many JJ cord-324395-v5uiuhih 44 3 of of IN cord-324395-v5uiuhih 44 4 these these DT cord-324395-v5uiuhih 44 5 tools tool NNS cord-324395-v5uiuhih 44 6 are be VBP cord-324395-v5uiuhih 44 7 available available JJ cord-324395-v5uiuhih 44 8 as as IN cord-324395-v5uiuhih 44 9 webservers webserver NNS cord-324395-v5uiuhih 44 10 making make VBG cord-324395-v5uiuhih 44 11 them -PRON- PRP cord-324395-v5uiuhih 44 12 ideal ideal JJ cord-324395-v5uiuhih 44 13 for for IN cord-324395-v5uiuhih 44 14 their -PRON- PRP$ cord-324395-v5uiuhih 44 15 ease ease NN cord-324395-v5uiuhih 44 16 of of IN cord-324395-v5uiuhih 44 17 use use NN cord-324395-v5uiuhih 44 18 and and CC cord-324395-v5uiuhih 44 19 distribution distribution NN cord-324395-v5uiuhih 44 20 , , , cord-324395-v5uiuhih 44 21 this this DT cord-324395-v5uiuhih 44 22 limits limit VBZ cord-324395-v5uiuhih 44 23 their -PRON- PRP$ cord-324395-v5uiuhih 44 24 ability ability NN cord-324395-v5uiuhih 44 25 to to TO cord-324395-v5uiuhih 44 26 be be VB cord-324395-v5uiuhih 44 27 customized customize VBN cord-324395-v5uiuhih 44 28 for for IN cord-324395-v5uiuhih 44 29 the the DT cord-324395-v5uiuhih 44 30 specific specific JJ cord-324395-v5uiuhih 44 31 needs need NNS cord-324395-v5uiuhih 44 32 of of IN cord-324395-v5uiuhih 44 33 some some DT cord-324395-v5uiuhih 44 34 users user NNS cord-324395-v5uiuhih 44 35 ; ; : cord-324395-v5uiuhih 44 36 for for IN cord-324395-v5uiuhih 44 37 example example NN cord-324395-v5uiuhih 44 38 , , , cord-324395-v5uiuhih 44 39 for for IN cord-324395-v5uiuhih 44 40 tasks task NNS cord-324395-v5uiuhih 44 41 that that WDT cord-324395-v5uiuhih 44 42 require require VBP cord-324395-v5uiuhih 44 43 batch batch NN cord-324395-v5uiuhih 44 44 modeling modeling NN cord-324395-v5uiuhih 44 45 of of IN cord-324395-v5uiuhih 44 46 several several JJ cord-324395-v5uiuhih 44 47 glycoforms glycoform NNS cord-324395-v5uiuhih 44 48 for for IN cord-324395-v5uiuhih 44 49 a a DT cord-324395-v5uiuhih 44 50 given give VBN cord-324395-v5uiuhih 44 51 protein protein NN cord-324395-v5uiuhih 44 52 or or CC cord-324395-v5uiuhih 44 53 adding add VBG cord-324395-v5uiuhih 44 54 non non JJ cord-324395-v5uiuhih 44 55 - - JJ cord-324395-v5uiuhih 44 56 canonical canonical JJ cord-324395-v5uiuhih 44 57 saccharides saccharide NNS cord-324395-v5uiuhih 44 58 to to IN cord-324395-v5uiuhih 44 59 a a DT cord-324395-v5uiuhih 44 60 protein protein NN cord-324395-v5uiuhih 44 61 structure structure NN cord-324395-v5uiuhih 44 62 . . . cord-324395-v5uiuhih 45 1 We -PRON- PRP cord-324395-v5uiuhih 45 2 describe describe VBP cord-324395-v5uiuhih 45 3 here here RB cord-324395-v5uiuhih 45 4 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 45 5 , , , cord-324395-v5uiuhih 45 6 a a DT cord-324395-v5uiuhih 45 7 Python Python NNP cord-324395-v5uiuhih 45 8 framework framework NN cord-324395-v5uiuhih 45 9 designed design VBN cord-324395-v5uiuhih 45 10 for for IN cord-324395-v5uiuhih 45 11 the the DT cord-324395-v5uiuhih 45 12 rapid rapid JJ cord-324395-v5uiuhih 45 13 modeling modeling NN cord-324395-v5uiuhih 45 14 of of IN cord-324395-v5uiuhih 45 15 glycoprotein glycoprotein NN cord-324395-v5uiuhih 45 16 . . . cord-324395-v5uiuhih 46 1 It -PRON- PRP cord-324395-v5uiuhih 46 2 can can MD cord-324395-v5uiuhih 46 3 be be VB cord-324395-v5uiuhih 46 4 used use VBN cord-324395-v5uiuhih 46 5 directly directly RB cord-324395-v5uiuhih 46 6 in in IN cord-324395-v5uiuhih 46 7 a a DT cord-324395-v5uiuhih 46 8 Python Python NNP cord-324395-v5uiuhih 46 9 terminal terminal NN cord-324395-v5uiuhih 46 10 or or CC cord-324395-v5uiuhih 46 11 script script NN cord-324395-v5uiuhih 46 12 to to TO cord-324395-v5uiuhih 46 13 identify identify VB cord-324395-v5uiuhih 46 14 , , , cord-324395-v5uiuhih 46 15 manipulate manipulate VB cord-324395-v5uiuhih 46 16 , , , cord-324395-v5uiuhih 46 17 and and CC cord-324395-v5uiuhih 46 18 build build VB cord-324395-v5uiuhih 46 19 glycans glycan NNS cord-324395-v5uiuhih 46 20 . . . cord-324395-v5uiuhih 47 1 In in IN cord-324395-v5uiuhih 47 2 addition addition NN cord-324395-v5uiuhih 47 3 , , , cord-324395-v5uiuhih 47 4 the the DT cord-324395-v5uiuhih 47 5 GUI GUI NNP cord-324395-v5uiuhih 47 6 allows allow VBZ cord-324395-v5uiuhih 47 7 for for IN cord-324395-v5uiuhih 47 8 the the DT cord-324395-v5uiuhih 47 9 quick quick JJ cord-324395-v5uiuhih 47 10 visualization visualization NN cord-324395-v5uiuhih 47 11 and and CC cord-324395-v5uiuhih 47 12 modification modification NN cord-324395-v5uiuhih 47 13 of of IN cord-324395-v5uiuhih 47 14 glycosylated glycosylated JJ cord-324395-v5uiuhih 47 15 proteins protein NNS cord-324395-v5uiuhih 47 16 ( ( -LRB- cord-324395-v5uiuhih 47 17 such such JJ cord-324395-v5uiuhih 47 18 as as IN cord-324395-v5uiuhih 47 19 one one CD cord-324395-v5uiuhih 47 20 downloaded download VBN cord-324395-v5uiuhih 47 21 directly directly RB cord-324395-v5uiuhih 47 22 from from IN cord-324395-v5uiuhih 47 23 the the DT cord-324395-v5uiuhih 47 24 PDB PDB NNP cord-324395-v5uiuhih 47 25 ) ) -RRB- cord-324395-v5uiuhih 47 26 . . . cord-324395-v5uiuhih 48 1 The the DT cord-324395-v5uiuhih 48 2 molecular molecular JJ cord-324395-v5uiuhih 48 3 description description NN cord-324395-v5uiuhih 48 4 of of IN cord-324395-v5uiuhih 48 5 glycans glycan NNS cord-324395-v5uiuhih 48 6 is be VBZ cord-324395-v5uiuhih 48 7 based base VBN cord-324395-v5uiuhih 48 8 on on IN cord-324395-v5uiuhih 48 9 the the DT cord-324395-v5uiuhih 48 10 CHARMM CHARMM NNP cord-324395-v5uiuhih 48 11 force force NN cord-324395-v5uiuhih 48 12 field field NN cord-324395-v5uiuhih 48 13 [ [ -LRB- cord-324395-v5uiuhih 48 14 22 22 CD cord-324395-v5uiuhih 48 15 ] ] -RRB- cord-324395-v5uiuhih 48 16 . . . cord-324395-v5uiuhih 49 1 New new JJ cord-324395-v5uiuhih 49 2 saccharides saccharide NNS cord-324395-v5uiuhih 49 3 appearing appear VBG cord-324395-v5uiuhih 49 4 in in IN cord-324395-v5uiuhih 49 5 updated update VBN cord-324395-v5uiuhih 49 6 versions version NNS cord-324395-v5uiuhih 49 7 of of IN cord-324395-v5uiuhih 49 8 the the DT cord-324395-v5uiuhih 49 9 force force NN cord-324395-v5uiuhih 49 10 field field NN cord-324395-v5uiuhih 49 11 or or CC cord-324395-v5uiuhih 49 12 defined define VBN cord-324395-v5uiuhih 49 13 by by IN cord-324395-v5uiuhih 49 14 the the DT cord-324395-v5uiuhih 49 15 user user NN cord-324395-v5uiuhih 49 16 can can MD cord-324395-v5uiuhih 49 17 easily easily RB cord-324395-v5uiuhih 49 18 be be VB cord-324395-v5uiuhih 49 19 added add VBN cord-324395-v5uiuhih 49 20 . . . cord-324395-v5uiuhih 50 1 Modeled model VBN cord-324395-v5uiuhih 50 2 glycans glycan NNS cord-324395-v5uiuhih 50 3 can can MD cord-324395-v5uiuhih 50 4 be be VB cord-324395-v5uiuhih 50 5 further further RB cord-324395-v5uiuhih 50 6 refined refine VBN cord-324395-v5uiuhih 50 7 by by IN cord-324395-v5uiuhih 50 8 removing remove VBG cord-324395-v5uiuhih 50 9 clashes clash NNS cord-324395-v5uiuhih 50 10 and and CC cord-324395-v5uiuhih 50 11 sampling sample VBG cord-324395-v5uiuhih 50 12 alternate alternate JJ cord-324395-v5uiuhih 50 13 conformations conformation NNS cord-324395-v5uiuhih 50 14 . . . cord-324395-v5uiuhih 51 1 Since since IN cord-324395-v5uiuhih 51 2 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 51 3 is be VBZ cord-324395-v5uiuhih 51 4 distributed distribute VBN cord-324395-v5uiuhih 51 5 as as IN cord-324395-v5uiuhih 51 6 a a DT cord-324395-v5uiuhih 51 7 Python Python NNP cord-324395-v5uiuhih 51 8 package package NN cord-324395-v5uiuhih 51 9 , , , cord-324395-v5uiuhih 51 10 users user NNS cord-324395-v5uiuhih 51 11 can can MD cord-324395-v5uiuhih 51 12 easily easily RB cord-324395-v5uiuhih 51 13 adapt adapt VB cord-324395-v5uiuhih 51 14 the the DT cord-324395-v5uiuhih 51 15 code code NN cord-324395-v5uiuhih 51 16 to to TO cord-324395-v5uiuhih 51 17 meet meet VB cord-324395-v5uiuhih 51 18 their -PRON- PRP$ cord-324395-v5uiuhih 51 19 specific specific JJ cord-324395-v5uiuhih 51 20 needs need NNS cord-324395-v5uiuhih 51 21 . . . cord-324395-v5uiuhih 52 1 The the DT cord-324395-v5uiuhih 52 2 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 52 3 framework framework NN cord-324395-v5uiuhih 52 4 is be VBZ cord-324395-v5uiuhih 52 5 composed compose VBN cord-324395-v5uiuhih 52 6 of of IN cord-324395-v5uiuhih 52 7 7 7 CD cord-324395-v5uiuhih 52 8 classes class NNS cord-324395-v5uiuhih 52 9 , , , cord-324395-v5uiuhih 52 10 several several JJ cord-324395-v5uiuhih 52 11 of of IN cord-324395-v5uiuhih 52 12 which which WDT cord-324395-v5uiuhih 52 13 can can MD cord-324395-v5uiuhih 52 14 be be VB cord-324395-v5uiuhih 52 15 employed employ VBN cord-324395-v5uiuhih 52 16 as as IN cord-324395-v5uiuhih 52 17 standalone standalone JJ cord-324395-v5uiuhih 52 18 instances instance NNS cord-324395-v5uiuhih 52 19 for for IN cord-324395-v5uiuhih 52 20 other other JJ cord-324395-v5uiuhih 52 21 applications application NNS cord-324395-v5uiuhih 52 22 in in IN cord-324395-v5uiuhih 52 23 molecular molecular JJ cord-324395-v5uiuhih 52 24 modeling modeling NN cord-324395-v5uiuhih 52 25 ( ( -LRB- cord-324395-v5uiuhih 52 26 Additional additional JJ cord-324395-v5uiuhih 52 27 file file NN cord-324395-v5uiuhih 52 28 1 1 CD cord-324395-v5uiuhih 52 29 : : : cord-324395-v5uiuhih 52 30 Figure figure NN cord-324395-v5uiuhih 52 31 S1 s1 NN cord-324395-v5uiuhih 52 32 in in IN cord-324395-v5uiuhih 52 33 the the DT cord-324395-v5uiuhih 52 34 Supporting support VBG cord-324395-v5uiuhih 52 35 Information information NN cord-324395-v5uiuhih 52 36 ( ( -LRB- cord-324395-v5uiuhih 52 37 SI SI NNP cord-324395-v5uiuhih 52 38 ) ) -RRB- cord-324395-v5uiuhih 52 39 section section NN cord-324395-v5uiuhih 52 40 ) ) -RRB- cord-324395-v5uiuhih 52 41 . . . cord-324395-v5uiuhih 53 1 At at IN cord-324395-v5uiuhih 53 2 the the DT cord-324395-v5uiuhih 53 3 core core NN cord-324395-v5uiuhih 53 4 of of IN cord-324395-v5uiuhih 53 5 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 53 6 is be VBZ cord-324395-v5uiuhih 53 7 the the DT cord-324395-v5uiuhih 53 8 Molecule Molecule NNP cord-324395-v5uiuhih 53 9 class class NN cord-324395-v5uiuhih 53 10 . . . cord-324395-v5uiuhih 54 1 A a DT cord-324395-v5uiuhih 54 2 Molecule Molecule NNP cord-324395-v5uiuhih 54 3 is be VBZ cord-324395-v5uiuhih 54 4 defined define VBN cord-324395-v5uiuhih 54 5 as as IN cord-324395-v5uiuhih 54 6 a a DT cord-324395-v5uiuhih 54 7 single single JJ cord-324395-v5uiuhih 54 8 covalently covalently RB cord-324395-v5uiuhih 54 9 linked link VBN cord-324395-v5uiuhih 54 10 set set NN cord-324395-v5uiuhih 54 11 of of IN cord-324395-v5uiuhih 54 12 atoms atom NNS cord-324395-v5uiuhih 54 13 and and CC cord-324395-v5uiuhih 54 14 is be VBZ cord-324395-v5uiuhih 54 15 implemented implement VBN cord-324395-v5uiuhih 54 16 around around IN cord-324395-v5uiuhih 54 17 the the DT cord-324395-v5uiuhih 54 18 ProDy prody XX cord-324395-v5uiuhih 54 19 [ [ -LRB- cord-324395-v5uiuhih 54 20 25 25 CD cord-324395-v5uiuhih 54 21 ] ] -RRB- cord-324395-v5uiuhih 54 22 and and CC cord-324395-v5uiuhih 54 23 NetworkX networkx XX cord-324395-v5uiuhih 54 24 [ [ -LRB- cord-324395-v5uiuhih 54 25 26 26 CD cord-324395-v5uiuhih 54 26 ] ] -RRB- cord-324395-v5uiuhih 54 27 packages package NNS cord-324395-v5uiuhih 54 28 . . . cord-324395-v5uiuhih 55 1 ProDy ProDy NNP cord-324395-v5uiuhih 55 2 is be VBZ cord-324395-v5uiuhih 55 3 widely widely RB cord-324395-v5uiuhih 55 4 used use VBN cord-324395-v5uiuhih 55 5 for for IN cord-324395-v5uiuhih 55 6 studying study VBG cord-324395-v5uiuhih 55 7 biomolecules biomolecule NNS cord-324395-v5uiuhih 55 8 and and CC cord-324395-v5uiuhih 55 9 offers offer VBZ cord-324395-v5uiuhih 55 10 several several JJ cord-324395-v5uiuhih 55 11 functions function NNS cord-324395-v5uiuhih 55 12 for for IN cord-324395-v5uiuhih 55 13 storing store VBG cord-324395-v5uiuhih 55 14 and and CC cord-324395-v5uiuhih 55 15 manipulating manipulate VBG cord-324395-v5uiuhih 55 16 structures structure NNS cord-324395-v5uiuhih 55 17 . . . cord-324395-v5uiuhih 56 1 The the DT cord-324395-v5uiuhih 56 2 functions function NNS cord-324395-v5uiuhih 56 3 and and CC cord-324395-v5uiuhih 56 4 classes class NNS cord-324395-v5uiuhih 56 5 provided provide VBN cord-324395-v5uiuhih 56 6 are be VBP cord-324395-v5uiuhih 56 7 used use VBN cord-324395-v5uiuhih 56 8 in in IN cord-324395-v5uiuhih 56 9 the the DT cord-324395-v5uiuhih 56 10 Molecule Molecule NNP cord-324395-v5uiuhih 56 11 class class NN cord-324395-v5uiuhih 56 12 for for IN cord-324395-v5uiuhih 56 13 saving save VBG cord-324395-v5uiuhih 56 14 and and CC cord-324395-v5uiuhih 56 15 quickly quickly RB cord-324395-v5uiuhih 56 16 accessing access VBG cord-324395-v5uiuhih 56 17 the the DT cord-324395-v5uiuhih 56 18 structural structural JJ cord-324395-v5uiuhih 56 19 data datum NNS cord-324395-v5uiuhih 56 20 of of IN cord-324395-v5uiuhih 56 21 a a DT cord-324395-v5uiuhih 56 22 molecule molecule NN cord-324395-v5uiuhih 56 23 . . . cord-324395-v5uiuhih 57 1 The the DT cord-324395-v5uiuhih 57 2 topological topological JJ cord-324395-v5uiuhih 57 3 properties property NNS cord-324395-v5uiuhih 57 4 of of IN cord-324395-v5uiuhih 57 5 a a DT cord-324395-v5uiuhih 57 6 molecule molecule NN cord-324395-v5uiuhih 57 7 are be VBP cord-324395-v5uiuhih 57 8 represented represent VBN cord-324395-v5uiuhih 57 9 here here RB cord-324395-v5uiuhih 57 10 as as IN cord-324395-v5uiuhih 57 11 a a DT cord-324395-v5uiuhih 57 12 graph graph NN cord-324395-v5uiuhih 57 13 using use VBG cord-324395-v5uiuhih 57 14 the the DT cord-324395-v5uiuhih 57 15 Net Net NNP cord-324395-v5uiuhih 57 16 - - HYPH cord-324395-v5uiuhih 57 17 workX workx CD cord-324395-v5uiuhih 57 18 package package NN cord-324395-v5uiuhih 57 19 . . . cord-324395-v5uiuhih 58 1 A a DT cord-324395-v5uiuhih 58 2 Molecule molecule NN cord-324395-v5uiuhih 58 3 can can MD cord-324395-v5uiuhih 58 4 be be VB cord-324395-v5uiuhih 58 5 instantiated instantiate VBN cord-324395-v5uiuhih 58 6 directly directly RB cord-324395-v5uiuhih 58 7 with with IN cord-324395-v5uiuhih 58 8 a a DT cord-324395-v5uiuhih 58 9 3D 3d JJ cord-324395-v5uiuhih 58 10 structure structure NN cord-324395-v5uiuhih 58 11 ( ( -LRB- cord-324395-v5uiuhih 58 12 PDB PDB NNP cord-324395-v5uiuhih 58 13 ) ) -RRB- cord-324395-v5uiuhih 58 14 or or CC cord-324395-v5uiuhih 58 15 using use VBG cord-324395-v5uiuhih 58 16 a a DT cord-324395-v5uiuhih 58 17 MoleculeBuilder MoleculeBuilder NNP cord-324395-v5uiuhih 58 18 instance instance NN cord-324395-v5uiuhih 58 19 and and CC cord-324395-v5uiuhih 58 20 the the DT cord-324395-v5uiuhih 58 21 topology topology NN cord-324395-v5uiuhih 58 22 information information NN cord-324395-v5uiuhih 58 23 provided provide VBN cord-324395-v5uiuhih 58 24 for for IN cord-324395-v5uiuhih 58 25 the the DT cord-324395-v5uiuhih 58 26 CHARMM CHARMM NNP cord-324395-v5uiuhih 58 27 force force NN cord-324395-v5uiuhih 58 28 field field NN cord-324395-v5uiuhih 58 29 [ [ -LRB- cord-324395-v5uiuhih 58 30 22 22 CD cord-324395-v5uiuhih 58 31 ] ] -RRB- cord-324395-v5uiuhih 58 32 . . . cord-324395-v5uiuhih 59 1 When when WRB cord-324395-v5uiuhih 59 2 loading load VBG cord-324395-v5uiuhih 59 3 a a DT cord-324395-v5uiuhih 59 4 glycoprotein glycoprotein NN cord-324395-v5uiuhih 59 5 , , , cord-324395-v5uiuhih 59 6 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 59 7 will will MD cord-324395-v5uiuhih 59 8 identify identify VB cord-324395-v5uiuhih 59 9 all all DT cord-324395-v5uiuhih 59 10 Oand Oand NNP cord-324395-v5uiuhih 59 11 N N NNP cord-324395-v5uiuhih 59 12 - - HYPH cord-324395-v5uiuhih 59 13 linked link VBN cord-324395-v5uiuhih 59 14 sequons sequon NNS cord-324395-v5uiuhih 59 15 and and CC cord-324395-v5uiuhih 59 16 their -PRON- PRP$ cord-324395-v5uiuhih 59 17 glycans glycan NNS cord-324395-v5uiuhih 59 18 . . . cord-324395-v5uiuhih 60 1 The the DT cord-324395-v5uiuhih 60 2 structure structure NN cord-324395-v5uiuhih 60 3 and and CC cord-324395-v5uiuhih 60 4 topology topology NN cord-324395-v5uiuhih 60 5 of of IN cord-324395-v5uiuhih 60 6 each each DT cord-324395-v5uiuhih 60 7 of of IN cord-324395-v5uiuhih 60 8 the the DT cord-324395-v5uiuhih 60 9 glycans glycan NNS cord-324395-v5uiuhih 60 10 can can MD cord-324395-v5uiuhih 60 11 then then RB cord-324395-v5uiuhih 60 12 be be VB cord-324395-v5uiuhih 60 13 modified modify VBN cord-324395-v5uiuhih 60 14 . . . cord-324395-v5uiuhih 61 1 Clashes clash NNS cord-324395-v5uiuhih 61 2 and and CC cord-324395-v5uiuhih 61 3 alternative alternative JJ cord-324395-v5uiuhih 61 4 conformations conformation NNS cord-324395-v5uiuhih 61 5 for for IN cord-324395-v5uiuhih 61 6 glycans glycan NNS cord-324395-v5uiuhih 61 7 can can MD cord-324395-v5uiuhih 61 8 be be VB cord-324395-v5uiuhih 61 9 optimized optimize VBN cord-324395-v5uiuhih 61 10 with with IN cord-324395-v5uiuhih 61 11 the the DT cord-324395-v5uiuhih 61 12 Sampler Sampler NNP cord-324395-v5uiuhih 61 13 class class NN cord-324395-v5uiuhih 61 14 . . . cord-324395-v5uiuhih 62 1 Finally finally RB cord-324395-v5uiuhih 62 2 , , , cord-324395-v5uiuhih 62 3 the the DT cord-324395-v5uiuhih 62 4 graphical graphical JJ cord-324395-v5uiuhih 62 5 representation representation NN cord-324395-v5uiuhih 62 6 of of IN cord-324395-v5uiuhih 62 7 glycans glycan NNS cord-324395-v5uiuhih 62 8 provided provide VBN cord-324395-v5uiuhih 62 9 by by IN cord-324395-v5uiuhih 62 10 the the DT cord-324395-v5uiuhih 62 11 Drawer Drawer NNP cord-324395-v5uiuhih 62 12 class class NN cord-324395-v5uiuhih 62 13 makes make VBZ cord-324395-v5uiuhih 62 14 use use NN cord-324395-v5uiuhih 62 15 of of IN cord-324395-v5uiuhih 62 16 Matplotlib Matplotlib NNP cord-324395-v5uiuhih 62 17 [ [ -LRB- cord-324395-v5uiuhih 62 18 27 27 CD cord-324395-v5uiuhih 62 19 ] ] -RRB- cord-324395-v5uiuhih 62 20 , , , cord-324395-v5uiuhih 62 21 a a DT cord-324395-v5uiuhih 62 22 Python Python NNP cord-324395-v5uiuhih 62 23 package package NN cord-324395-v5uiuhih 62 24 used use VBN cord-324395-v5uiuhih 62 25 for for IN cord-324395-v5uiuhih 62 26 plotting plot VBG cord-324395-v5uiuhih 62 27 . . . cord-324395-v5uiuhih 63 1 Taken take VBN cord-324395-v5uiuhih 63 2 together together RB cord-324395-v5uiuhih 63 3 , , , cord-324395-v5uiuhih 63 4 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 63 5 provides provide VBZ cord-324395-v5uiuhih 63 6 more more JJR cord-324395-v5uiuhih 63 7 functionality functionality NN cord-324395-v5uiuhih 63 8 for for IN cord-324395-v5uiuhih 63 9 analyzing analyze VBG cord-324395-v5uiuhih 63 10 and and CC cord-324395-v5uiuhih 63 11 modeling model VBG cord-324395-v5uiuhih 63 12 glycans glycan NNS cord-324395-v5uiuhih 63 13 than than IN cord-324395-v5uiuhih 63 14 many many JJ cord-324395-v5uiuhih 63 15 popular popular JJ cord-324395-v5uiuhih 63 16 software software NN cord-324395-v5uiuhih 63 17 packages package NNS cord-324395-v5uiuhih 63 18 and and CC cord-324395-v5uiuhih 63 19 webservers webserver NNS cord-324395-v5uiuhih 63 20 ( ( -LRB- cord-324395-v5uiuhih 63 21 Table table NN cord-324395-v5uiuhih 63 22 1 1 CD cord-324395-v5uiuhih 63 23 ) ) -RRB- cord-324395-v5uiuhih 63 24 . . . cord-324395-v5uiuhih 64 1 The the DT cord-324395-v5uiuhih 64 2 main main JJ cord-324395-v5uiuhih 64 3 functions function NNS cord-324395-v5uiuhih 64 4 used use VBN cord-324395-v5uiuhih 64 5 for for IN cord-324395-v5uiuhih 64 6 glycosylating glycosylate VBG cord-324395-v5uiuhih 64 7 a a DT cord-324395-v5uiuhih 64 8 protein protein NN cord-324395-v5uiuhih 64 9 can can MD cord-324395-v5uiuhih 64 10 be be VB cord-324395-v5uiuhih 64 11 conveniently conveniently RB cord-324395-v5uiuhih 64 12 accessed access VBN cord-324395-v5uiuhih 64 13 through through IN cord-324395-v5uiuhih 64 14 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 64 15 's 's POS cord-324395-v5uiuhih 64 16 GUI GUI NNP cord-324395-v5uiuhih 64 17 ( ( -LRB- cord-324395-v5uiuhih 64 18 Additional additional JJ cord-324395-v5uiuhih 64 19 file file NN cord-324395-v5uiuhih 64 20 1 1 CD cord-324395-v5uiuhih 64 21 : : : cord-324395-v5uiuhih 64 22 Figure figure NN cord-324395-v5uiuhih 64 23 S2 s2 NN cord-324395-v5uiuhih 64 24 ) ) -RRB- cord-324395-v5uiuhih 64 25 . . . cord-324395-v5uiuhih 65 1 Below below RB cord-324395-v5uiuhih 65 2 , , , cord-324395-v5uiuhih 65 3 we -PRON- PRP cord-324395-v5uiuhih 65 4 briefly briefly RB cord-324395-v5uiuhih 65 5 describe describe VBP cord-324395-v5uiuhih 65 6 each each DT cord-324395-v5uiuhih 65 7 class class NN cord-324395-v5uiuhih 65 8 . . . cord-324395-v5uiuhih 66 1 Detailed detailed JJ cord-324395-v5uiuhih 66 2 examples example NNS cord-324395-v5uiuhih 66 3 for for IN cord-324395-v5uiuhih 66 4 the the DT cord-324395-v5uiuhih 66 5 usage usage NN cord-324395-v5uiuhih 66 6 of of IN cord-324395-v5uiuhih 66 7 each each DT cord-324395-v5uiuhih 66 8 class class NN cord-324395-v5uiuhih 66 9 are be VBP cord-324395-v5uiuhih 66 10 provided provide VBN cord-324395-v5uiuhih 66 11 in in IN cord-324395-v5uiuhih 66 12 the the DT cord-324395-v5uiuhih 66 13 Supporting support VBG cord-324395-v5uiuhih 66 14 Information information NN cord-324395-v5uiuhih 66 15 ( ( -LRB- cord-324395-v5uiuhih 66 16 Additional additional JJ cord-324395-v5uiuhih 66 17 file file NN cord-324395-v5uiuhih 66 18 1 1 CD cord-324395-v5uiuhih 66 19 : : : cord-324395-v5uiuhih 66 20 Example Example NNP cord-324395-v5uiuhih 66 21 S1 S1 NNP cord-324395-v5uiuhih 66 22 ) ) -RRB- cord-324395-v5uiuhih 66 23 section section NN cord-324395-v5uiuhih 66 24 and and CC cord-324395-v5uiuhih 66 25 on on IN cord-324395-v5uiuhih 66 26 the the DT cord-324395-v5uiuhih 66 27 Github Github NNP cord-324395-v5uiuhih 66 28 repository repository NN cord-324395-v5uiuhih 66 29 . . . cord-324395-v5uiuhih 67 1 CHARMM CHARMM NNP cord-324395-v5uiuhih 67 2 force force NN cord-324395-v5uiuhih 67 3 field field NN cord-324395-v5uiuhih 67 4 topology topology NN cord-324395-v5uiuhih 67 5 and and CC cord-324395-v5uiuhih 67 6 parameter parameter NN cord-324395-v5uiuhih 67 7 files file NNS cord-324395-v5uiuhih 67 8 are be VBP cord-324395-v5uiuhih 67 9 parsed parse VBN cord-324395-v5uiuhih 67 10 using use VBG cord-324395-v5uiuhih 67 11 the the DT cord-324395-v5uiuhih 67 12 CHARMMTopology charmmtopology NN cord-324395-v5uiuhih 67 13 and and CC cord-324395-v5uiuhih 67 14 CHARMM CHARMM NNP cord-324395-v5uiuhih 67 15 - - HYPH cord-324395-v5uiuhih 67 16 Parameters parameter NNS cord-324395-v5uiuhih 67 17 classes class NNS cord-324395-v5uiuhih 67 18 , , , cord-324395-v5uiuhih 67 19 respectively respectively RB cord-324395-v5uiuhih 67 20 . . . cord-324395-v5uiuhih 68 1 The the DT cord-324395-v5uiuhih 68 2 data data NN cord-324395-v5uiuhih 68 3 is be VBZ cord-324395-v5uiuhih 68 4 stored store VBN cord-324395-v5uiuhih 68 5 in in IN cord-324395-v5uiuhih 68 6 a a DT cord-324395-v5uiuhih 68 7 dictionary dictionary NN cord-324395-v5uiuhih 68 8 for for IN cord-324395-v5uiuhih 68 9 a a DT cord-324395-v5uiuhih 68 10 quick quick JJ cord-324395-v5uiuhih 68 11 and and CC cord-324395-v5uiuhih 68 12 easy easy JJ cord-324395-v5uiuhih 68 13 access access NN cord-324395-v5uiuhih 68 14 . . . cord-324395-v5uiuhih 69 1 The the DT cord-324395-v5uiuhih 69 2 CHARMM CHARMM NNP cord-324395-v5uiuhih 69 3 - - HYPH cord-324395-v5uiuhih 69 4 Topology topology NN cord-324395-v5uiuhih 69 5 class class NN cord-324395-v5uiuhih 69 6 creates create VBZ cord-324395-v5uiuhih 69 7 and and CC cord-324395-v5uiuhih 69 8 stores store NNS cord-324395-v5uiuhih 69 9 an an DT cord-324395-v5uiuhih 69 10 additional additional JJ cord-324395-v5uiuhih 69 11 dictionary dictionary NN cord-324395-v5uiuhih 69 12 for for IN cord-324395-v5uiuhih 69 13 looking look VBG cord-324395-v5uiuhih 69 14 up up RP cord-324395-v5uiuhih 69 15 patches patch NNS cord-324395-v5uiuhih 69 16 . . . cord-324395-v5uiuhih 70 1 The the DT cord-324395-v5uiuhih 70 2 patches patch NNS cord-324395-v5uiuhih 70 3 are be VBP cord-324395-v5uiuhih 70 4 used use VBN cord-324395-v5uiuhih 70 5 to to TO cord-324395-v5uiuhih 70 6 define define VB cord-324395-v5uiuhih 70 7 the the DT cord-324395-v5uiuhih 70 8 glycosidic glycosidic JJ cord-324395-v5uiuhih 70 9 bonds bond NNS cord-324395-v5uiuhih 70 10 between between IN cord-324395-v5uiuhih 70 11 saccharide saccharide NN cord-324395-v5uiuhih 70 12 units unit NNS cord-324395-v5uiuhih 70 13 and and CC cord-324395-v5uiuhih 70 14 are be VBP cord-324395-v5uiuhih 70 15 required require VBN cord-324395-v5uiuhih 70 16 for for IN cord-324395-v5uiuhih 70 17 modification modification NN cord-324395-v5uiuhih 70 18 ( ( -LRB- cord-324395-v5uiuhih 70 19 e.g. e.g. RB cord-324395-v5uiuhih 70 20 , , , cord-324395-v5uiuhih 70 21 deleting delete VBG cord-324395-v5uiuhih 70 22 atoms atom NNS cord-324395-v5uiuhih 70 23 ) ) -RRB- cord-324395-v5uiuhih 70 24 . . . cord-324395-v5uiuhih 71 1 The the DT cord-324395-v5uiuhih 71 2 Molecule Molecule NNP cord-324395-v5uiuhih 71 3 class class NN cord-324395-v5uiuhih 71 4 is be VBZ cord-324395-v5uiuhih 71 5 used use VBN cord-324395-v5uiuhih 71 6 for for IN cord-324395-v5uiuhih 71 7 storing store VBG cord-324395-v5uiuhih 71 8 the the DT cord-324395-v5uiuhih 71 9 coordinates coordinate NNS cord-324395-v5uiuhih 71 10 ( ( -LRB- cord-324395-v5uiuhih 71 11 Prody Prody NNP cord-324395-v5uiuhih 71 12 's 's POS cord-324395-v5uiuhih 71 13 AtomGroup AtomGroup NNP cord-324395-v5uiuhih 71 14 ) ) -RRB- cord-324395-v5uiuhih 71 15 and and CC cord-324395-v5uiuhih 71 16 connectivity connectivity NN cord-324395-v5uiuhih 71 17 ( ( -LRB- cord-324395-v5uiuhih 71 18 NetworkX NetworkX NNP cord-324395-v5uiuhih 71 19 graph graph NN cord-324395-v5uiuhih 71 20 ) ) -RRB- cord-324395-v5uiuhih 71 21 of of IN cord-324395-v5uiuhih 71 22 a a DT cord-324395-v5uiuhih 71 23 molecule molecule NN cord-324395-v5uiuhih 71 24 . . . cord-324395-v5uiuhih 72 1 The the DT cord-324395-v5uiuhih 72 2 bonds bond NNS cord-324395-v5uiuhih 72 3 , , , cord-324395-v5uiuhih 72 4 angles angle NNS cord-324395-v5uiuhih 72 5 and and CC cord-324395-v5uiuhih 72 6 dihedrals dihedral NNS cord-324395-v5uiuhih 72 7 are be VBP cord-324395-v5uiuhih 72 8 assigned assign VBN cord-324395-v5uiuhih 72 9 either either CC cord-324395-v5uiuhih 72 10 by by IN cord-324395-v5uiuhih 72 11 the the DT cord-324395-v5uiuhih 72 12 user user NN cord-324395-v5uiuhih 72 13 or or CC cord-324395-v5uiuhih 72 14 automatically automatically RB cord-324395-v5uiuhih 72 15 based base VBN cord-324395-v5uiuhih 72 16 on on IN cord-324395-v5uiuhih 72 17 the the DT cord-324395-v5uiuhih 72 18 distances distance NNS cord-324395-v5uiuhih 72 19 between between IN cord-324395-v5uiuhih 72 20 atoms atom NNS cord-324395-v5uiuhih 72 21 . . . cord-324395-v5uiuhih 73 1 The the DT cord-324395-v5uiuhih 73 2 molecule molecule NN cord-324395-v5uiuhih 73 3 's 's POS cord-324395-v5uiuhih 73 4 connectivity connectivity NN cord-324395-v5uiuhih 73 5 is be VBZ cord-324395-v5uiuhih 73 6 saved save VBN cord-324395-v5uiuhih 73 7 as as IN cord-324395-v5uiuhih 73 8 a a DT cord-324395-v5uiuhih 73 9 directed direct VBN cord-324395-v5uiuhih 73 10 graph graph NN cord-324395-v5uiuhih 73 11 . . . cord-324395-v5uiuhih 74 1 The the DT cord-324395-v5uiuhih 74 2 user user NN cord-324395-v5uiuhih 74 3 can can MD cord-324395-v5uiuhih 74 4 provide provide VB cord-324395-v5uiuhih 74 5 the the DT cord-324395-v5uiuhih 74 6 root root NN cord-324395-v5uiuhih 74 7 atom atom NN cord-324395-v5uiuhih 74 8 to to TO cord-324395-v5uiuhih 74 9 define define VB cord-324395-v5uiuhih 74 10 the the DT cord-324395-v5uiuhih 74 11 direction direction NN cord-324395-v5uiuhih 74 12 of of IN cord-324395-v5uiuhih 74 13 the the DT cord-324395-v5uiuhih 74 14 connectivity connectivity NN cord-324395-v5uiuhih 74 15 graph graph NN cord-324395-v5uiuhih 74 16 ; ; : cord-324395-v5uiuhih 74 17 by by IN cord-324395-v5uiuhih 74 18 default default NN cord-324395-v5uiuhih 74 19 , , , cord-324395-v5uiuhih 74 20 the the DT cord-324395-v5uiuhih 74 21 first first JJ cord-324395-v5uiuhih 74 22 atom atom NN cord-324395-v5uiuhih 74 23 of of IN cord-324395-v5uiuhih 74 24 the the DT cord-324395-v5uiuhih 74 25 molecule molecule NN cord-324395-v5uiuhih 74 26 is be VBZ cord-324395-v5uiuhih 74 27 chosen choose VBN cord-324395-v5uiuhih 74 28 . . . cord-324395-v5uiuhih 75 1 Ring ring NN cord-324395-v5uiuhih 75 2 structures structure NNS cord-324395-v5uiuhih 75 3 are be VBP cord-324395-v5uiuhih 75 4 automatically automatically RB cord-324395-v5uiuhih 75 5 detected detect VBN cord-324395-v5uiuhih 75 6 identifying identify VBG cord-324395-v5uiuhih 75 7 all all DT cord-324395-v5uiuhih 75 8 rotatable rotatable JJ cord-324395-v5uiuhih 75 9 torsional torsional JJ cord-324395-v5uiuhih 75 10 angles angle NNS cord-324395-v5uiuhih 75 11 that that WDT cord-324395-v5uiuhih 75 12 are be VBP cord-324395-v5uiuhih 75 13 not not RB cord-324395-v5uiuhih 75 14 part part NN cord-324395-v5uiuhih 75 15 of of IN cord-324395-v5uiuhih 75 16 a a DT cord-324395-v5uiuhih 75 17 cycle cycle NN cord-324395-v5uiuhih 75 18 . . . cord-324395-v5uiuhih 76 1 These these DT cord-324395-v5uiuhih 76 2 torsional torsional JJ cord-324395-v5uiuhih 76 3 angles angle NNS cord-324395-v5uiuhih 76 4 can can MD cord-324395-v5uiuhih 76 5 be be VB cord-324395-v5uiuhih 76 6 measured measure VBN cord-324395-v5uiuhih 76 7 , , , cord-324395-v5uiuhih 76 8 set set VBN cord-324395-v5uiuhih 76 9 to to IN cord-324395-v5uiuhih 76 10 a a DT cord-324395-v5uiuhih 76 11 specific specific JJ cord-324395-v5uiuhih 76 12 value value NN cord-324395-v5uiuhih 76 13 or or CC cord-324395-v5uiuhih 76 14 rotated rotate VBN cord-324395-v5uiuhih 76 15 by by IN cord-324395-v5uiuhih 76 16 a a DT cord-324395-v5uiuhih 76 17 given give VBN cord-324395-v5uiuhih 76 18 amount amount NN cord-324395-v5uiuhih 76 19 . . . cord-324395-v5uiuhih 77 1 An an DT cord-324395-v5uiuhih 77 2 interresidue interresidue JJ cord-324395-v5uiuhih 77 3 graph graph NN cord-324395-v5uiuhih 77 4 is be VBZ cord-324395-v5uiuhih 77 5 also also RB cord-324395-v5uiuhih 77 6 built build VBN cord-324395-v5uiuhih 77 7 in in IN cord-324395-v5uiuhih 77 8 order order NN cord-324395-v5uiuhih 77 9 to to TO cord-324395-v5uiuhih 77 10 quickly quickly RB cord-324395-v5uiuhih 77 11 parse parse VB cord-324395-v5uiuhih 77 12 through through RP cord-324395-v5uiuhih 77 13 a a DT cord-324395-v5uiuhih 77 14 molecule molecule NN cord-324395-v5uiuhih 77 15 composed compose VBN cord-324395-v5uiuhih 77 16 of of IN cord-324395-v5uiuhih 77 17 several several JJ cord-324395-v5uiuhih 77 18 residues residue NNS cord-324395-v5uiuhih 77 19 . . . cord-324395-v5uiuhih 78 1 The the DT cord-324395-v5uiuhih 78 2 MoleculeBuilder MoleculeBuilder NNP cord-324395-v5uiuhih 78 3 class class NN cord-324395-v5uiuhih 78 4 is be VBZ cord-324395-v5uiuhih 78 5 employed employ VBN cord-324395-v5uiuhih 78 6 for for IN cord-324395-v5uiuhih 78 7 building building NN cord-324395-v5uiuhih 78 8 and and CC cord-324395-v5uiuhih 78 9 editing editing NN cord-324395-v5uiuhih 78 10 molecules molecule NNS cord-324395-v5uiuhih 78 11 . . . cord-324395-v5uiuhih 79 1 Information information NN cord-324395-v5uiuhih 79 2 about about IN cord-324395-v5uiuhih 79 3 the the DT cord-324395-v5uiuhih 79 4 connectivity connectivity NN cord-324395-v5uiuhih 79 5 and and CC cord-324395-v5uiuhih 79 6 atoms atom NNS cord-324395-v5uiuhih 79 7 of of IN cord-324395-v5uiuhih 79 8 a a DT cord-324395-v5uiuhih 79 9 molecule molecule NN cord-324395-v5uiuhih 79 10 are be VBP cord-324395-v5uiuhih 79 11 extracted extract VBN cord-324395-v5uiuhih 79 12 from from IN cord-324395-v5uiuhih 79 13 a a DT cord-324395-v5uiuhih 79 14 CHARMMTopology charmmtopology NN cord-324395-v5uiuhih 79 15 instance instance NN cord-324395-v5uiuhih 79 16 . . . cord-324395-v5uiuhih 80 1 This this DT cord-324395-v5uiuhih 80 2 class class NN cord-324395-v5uiuhih 80 3 allows allow VBZ cord-324395-v5uiuhih 80 4 for for IN cord-324395-v5uiuhih 80 5 the the DT cord-324395-v5uiuhih 80 6 initialization initialization NN cord-324395-v5uiuhih 80 7 of of IN cord-324395-v5uiuhih 80 8 a a DT cord-324395-v5uiuhih 80 9 Prody Prody NNP cord-324395-v5uiuhih 80 10 residue residue NN cord-324395-v5uiuhih 80 11 ( ( -LRB- cord-324395-v5uiuhih 80 12 AtomGroup AtomGroup NNP cord-324395-v5uiuhih 80 13 ) ) -RRB- cord-324395-v5uiuhih 80 14 . . . cord-324395-v5uiuhih 81 1 Applying apply VBG cord-324395-v5uiuhih 81 2 a a DT cord-324395-v5uiuhih 81 3 patch patch NN cord-324395-v5uiuhih 81 4 ( ( -LRB- cord-324395-v5uiuhih 81 5 CHARMM CHARMM NNP cord-324395-v5uiuhih 81 6 ) ) -RRB- cord-324395-v5uiuhih 81 7 will will MD cord-324395-v5uiuhih 81 8 modify modify VB cord-324395-v5uiuhih 81 9 one one CD cord-324395-v5uiuhih 81 10 or or CC cord-324395-v5uiuhih 81 11 several several JJ cord-324395-v5uiuhih 81 12 residues residue NNS cord-324395-v5uiuhih 81 13 . . . cord-324395-v5uiuhih 82 1 For for IN cord-324395-v5uiuhih 82 2 glycans glycan NNS cord-324395-v5uiuhih 82 3 , , , cord-324395-v5uiuhih 82 4 patches patch NNS cord-324395-v5uiuhih 82 5 are be VBP cord-324395-v5uiuhih 82 6 typically typically RB cord-324395-v5uiuhih 82 7 used use VBN cord-324395-v5uiuhih 82 8 to to TO cord-324395-v5uiuhih 82 9 define define VB cord-324395-v5uiuhih 82 10 the the DT cord-324395-v5uiuhih 82 11 glycosidic glycosidic JJ cord-324395-v5uiuhih 82 12 linkage linkage NN cord-324395-v5uiuhih 82 13 . . . cord-324395-v5uiuhih 83 1 MoleculeBuilder MoleculeBuilder NNP cord-324395-v5uiuhih 83 2 interfaces interface NNS cord-324395-v5uiuhih 83 3 directly directly RB cord-324395-v5uiuhih 83 4 with with IN cord-324395-v5uiuhih 83 5 the the DT cord-324395-v5uiuhih 83 6 Prody Prody NNP cord-324395-v5uiuhih 83 7 AtomGroup AtomGroup NNP cord-324395-v5uiuhih 83 8 and and CC cord-324395-v5uiuhih 83 9 returns return VBZ cord-324395-v5uiuhih 83 10 all all PDT cord-324395-v5uiuhih 83 11 the the DT cord-324395-v5uiuhih 83 12 information information NN cord-324395-v5uiuhih 83 13 required require VBN cord-324395-v5uiuhih 83 14 for for IN cord-324395-v5uiuhih 83 15 creating create VBG cord-324395-v5uiuhih 83 16 a a DT cord-324395-v5uiuhih 83 17 Molecule Molecule NNP cord-324395-v5uiuhih 83 18 instance instance NN cord-324395-v5uiuhih 83 19 . . . cord-324395-v5uiuhih 84 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 84 2 class class NN cord-324395-v5uiuhih 84 3 was be VBD cord-324395-v5uiuhih 84 4 designed design VBN cord-324395-v5uiuhih 84 5 to to TO cord-324395-v5uiuhih 84 6 deal deal VB cord-324395-v5uiuhih 84 7 specifically specifically RB cord-324395-v5uiuhih 84 8 with with IN cord-324395-v5uiuhih 84 9 glycans glycan NNS cord-324395-v5uiuhih 84 10 / / SYM cord-324395-v5uiuhih 84 11 glycoprotein glycoprotein NN cord-324395-v5uiuhih 84 12 . . . cord-324395-v5uiuhih 85 1 It -PRON- PRP cord-324395-v5uiuhih 85 2 can can MD cord-324395-v5uiuhih 85 3 import import VB cord-324395-v5uiuhih 85 4 a a DT cord-324395-v5uiuhih 85 5 PDB PDB NNP cord-324395-v5uiuhih 85 6 file file NN cord-324395-v5uiuhih 85 7 and and CC cord-324395-v5uiuhih 85 8 automatically automatically RB cord-324395-v5uiuhih 85 9 extract extract VB cord-324395-v5uiuhih 85 10 all all PDT cord-324395-v5uiuhih 85 11 the the DT cord-324395-v5uiuhih 85 12 Oand Oand NNP cord-324395-v5uiuhih 85 13 N N NNP cord-324395-v5uiuhih 85 14 - - HYPH cord-324395-v5uiuhih 85 15 linked link VBN cord-324395-v5uiuhih 85 16 sequons sequon NNS cord-324395-v5uiuhih 85 17 and and CC cord-324395-v5uiuhih 85 18 associated associate VBD cord-324395-v5uiuhih 85 19 atoms atom NNS cord-324395-v5uiuhih 85 20 . . . cord-324395-v5uiuhih 86 1 Each each DT cord-324395-v5uiuhih 86 2 glycan glycan NN cord-324395-v5uiuhih 86 3 is be VBZ cord-324395-v5uiuhih 86 4 saved save VBN cord-324395-v5uiuhih 86 5 as as IN cord-324395-v5uiuhih 86 6 a a DT cord-324395-v5uiuhih 86 7 Molecule Molecule NNP cord-324395-v5uiuhih 86 8 instance instance NN cord-324395-v5uiuhih 86 9 in in IN cord-324395-v5uiuhih 86 10 a a DT cord-324395-v5uiuhih 86 11 dictionary dictionary NN cord-324395-v5uiuhih 86 12 . . . cord-324395-v5uiuhih 87 1 The the DT cord-324395-v5uiuhih 87 2 key key NN cord-324395-v5uiuhih 87 3 of of IN cord-324395-v5uiuhih 87 4 the the DT cord-324395-v5uiuhih 87 5 dictionary dictionary NN cord-324395-v5uiuhih 87 6 is be VBZ cord-324395-v5uiuhih 87 7 the the DT cord-324395-v5uiuhih 87 8 residue residue NN cord-324395-v5uiuhih 87 9 number number NN cord-324395-v5uiuhih 87 10 and and CC cord-324395-v5uiuhih 87 11 chain chain NN cord-324395-v5uiuhih 87 12 of of IN cord-324395-v5uiuhih 87 13 the the DT cord-324395-v5uiuhih 87 14 sequon sequon NN cord-324395-v5uiuhih 87 15 . . . cord-324395-v5uiuhih 88 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 88 2 uses use VBZ cord-324395-v5uiuhih 88 3 an an DT cord-324395-v5uiuhih 88 4 internal internal JJ cord-324395-v5uiuhih 88 5 text text NN cord-324395-v5uiuhih 88 6 representation representation NN cord-324395-v5uiuhih 88 7 for for IN cord-324395-v5uiuhih 88 8 storing store VBG cord-324395-v5uiuhih 88 9 a a DT cord-324395-v5uiuhih 88 10 topology topology NN cord-324395-v5uiuhih 88 11 tree tree NN cord-324395-v5uiuhih 88 12 for for IN cord-324395-v5uiuhih 88 13 each each DT cord-324395-v5uiuhih 88 14 glycan glycan NN cord-324395-v5uiuhih 88 15 structure structure NN cord-324395-v5uiuhih 88 16 . . . cord-324395-v5uiuhih 89 1 These these DT cord-324395-v5uiuhih 89 2 trees tree NNS cord-324395-v5uiuhih 89 3 describe describe VBP cord-324395-v5uiuhih 89 4 the the DT cord-324395-v5uiuhih 89 5 connectivity connectivity NN cord-324395-v5uiuhih 89 6 and and CC cord-324395-v5uiuhih 89 7 saccharide saccharide NN cord-324395-v5uiuhih 89 8 units unit NNS cord-324395-v5uiuhih 89 9 that that WDT cord-324395-v5uiuhih 89 10 compose compose VBP cord-324395-v5uiuhih 89 11 a a DT cord-324395-v5uiuhih 89 12 polysaccharide polysaccharide NN cord-324395-v5uiuhih 89 13 . . . cord-324395-v5uiuhih 90 1 A a DT cord-324395-v5uiuhih 90 2 library library NN cord-324395-v5uiuhih 90 3 of of IN cord-324395-v5uiuhih 90 4 these these DT cord-324395-v5uiuhih 90 5 structures structure NNS cord-324395-v5uiuhih 90 6 can can MD cord-324395-v5uiuhih 90 7 be be VB cord-324395-v5uiuhih 90 8 imported import VBN cord-324395-v5uiuhih 90 9 into into IN cord-324395-v5uiuhih 90 10 a a DT cord-324395-v5uiuhih 90 11 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 90 12 instance instance NN cord-324395-v5uiuhih 90 13 or or CC cord-324395-v5uiuhih 90 14 saved save VBD cord-324395-v5uiuhih 90 15 as as IN cord-324395-v5uiuhih 90 16 a a DT cord-324395-v5uiuhih 90 17 simple simple JJ cord-324395-v5uiuhih 90 18 text text NN cord-324395-v5uiuhih 90 19 file file NN cord-324395-v5uiuhih 90 20 or or CC cord-324395-v5uiuhih 90 21 a a DT cord-324395-v5uiuhih 90 22 SQL SQL NNP cord-324395-v5uiuhih 90 23 database database NN cord-324395-v5uiuhih 90 24 . . . cord-324395-v5uiuhih 91 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 91 2 can can MD cord-324395-v5uiuhih 91 3 then then RB cord-324395-v5uiuhih 91 4 compare compare VB cord-324395-v5uiuhih 91 5 the the DT cord-324395-v5uiuhih 91 6 extracted extract VBN cord-324395-v5uiuhih 91 7 connectivity connectivity NN cord-324395-v5uiuhih 91 8 tree tree NN cord-324395-v5uiuhih 91 9 to to IN cord-324395-v5uiuhih 91 10 the the DT cord-324395-v5uiuhih 91 11 internal internal JJ cord-324395-v5uiuhih 91 12 dataset dataset NN cord-324395-v5uiuhih 91 13 of of IN cord-324395-v5uiuhih 91 14 known know VBN cord-324395-v5uiuhih 91 15 glycans glycan NNS cord-324395-v5uiuhih 91 16 to to TO cord-324395-v5uiuhih 91 17 identify identify VB cord-324395-v5uiuhih 91 18 them -PRON- PRP cord-324395-v5uiuhih 91 19 based base VBN cord-324395-v5uiuhih 91 20 on on IN cord-324395-v5uiuhih 91 21 the the DT cord-324395-v5uiuhih 91 22 glycosidic glycosidic JJ cord-324395-v5uiuhih 91 23 linkage linkage NN cord-324395-v5uiuhih 91 24 and and CC cord-324395-v5uiuhih 91 25 residue residue NN cord-324395-v5uiuhih 91 26 type type NN cord-324395-v5uiuhih 91 27 . . . cord-324395-v5uiuhih 92 1 We -PRON- PRP cord-324395-v5uiuhih 92 2 do do VBP cord-324395-v5uiuhih 92 3 note note VB cord-324395-v5uiuhih 92 4 that that IN cord-324395-v5uiuhih 92 5 chemical chemical JJ cord-324395-v5uiuhih 92 6 post post NN cord-324395-v5uiuhih 92 7 - - NNS cord-324395-v5uiuhih 92 8 modifications modification NNS cord-324395-v5uiuhih 92 9 of of IN cord-324395-v5uiuhih 92 10 glycans glycan NNS cord-324395-v5uiuhih 92 11 are be VBP cord-324395-v5uiuhih 92 12 not not RB cord-324395-v5uiuhih 92 13 supported support VBN cord-324395-v5uiuhih 92 14 in in IN cord-324395-v5uiuhih 92 15 the the DT cord-324395-v5uiuhih 92 16 current current JJ cord-324395-v5uiuhih 92 17 version version NN cord-324395-v5uiuhih 92 18 . . . cord-324395-v5uiuhih 93 1 Glycans glycan NNS cord-324395-v5uiuhih 93 2 can can MD cord-324395-v5uiuhih 93 3 be be VB cord-324395-v5uiuhih 93 4 extended extend VBN cord-324395-v5uiuhih 93 5 , , , cord-324395-v5uiuhih 93 6 trimmed trim VBN cord-324395-v5uiuhih 93 7 or or CC cord-324395-v5uiuhih 93 8 modeled model VBN cord-324395-v5uiuhih 93 9 ab ab NN cord-324395-v5uiuhih 93 10 initio initio NN cord-324395-v5uiuhih 93 11 . . . cord-324395-v5uiuhih 94 1 This this DT cord-324395-v5uiuhih 94 2 can can MD cord-324395-v5uiuhih 94 3 be be VB cord-324395-v5uiuhih 94 4 achieved achieve VBN cord-324395-v5uiuhih 94 5 by by IN cord-324395-v5uiuhih 94 6 providing provide VBG cord-324395-v5uiuhih 94 7 the the DT cord-324395-v5uiuhih 94 8 identification identification NN cord-324395-v5uiuhih 94 9 of of IN cord-324395-v5uiuhih 94 10 a a DT cord-324395-v5uiuhih 94 11 known know VBN cord-324395-v5uiuhih 94 12 oligosaccharide oligosaccharide NN cord-324395-v5uiuhih 94 13 ( ( -LRB- cord-324395-v5uiuhih 94 14 in in IN cord-324395-v5uiuhih 94 15 the the DT cord-324395-v5uiuhih 94 16 library library NN cord-324395-v5uiuhih 94 17 ) ) -RRB- cord-324395-v5uiuhih 94 18 or or CC cord-324395-v5uiuhih 94 19 with with IN cord-324395-v5uiuhih 94 20 a a DT cord-324395-v5uiuhih 94 21 topology topology NN cord-324395-v5uiuhih 94 22 tree tree NN cord-324395-v5uiuhih 94 23 describing describe VBG cord-324395-v5uiuhih 94 24 the the DT cord-324395-v5uiuhih 94 25 connectivity connectivity NN cord-324395-v5uiuhih 94 26 and and CC cord-324395-v5uiuhih 94 27 glycan glycan NN cord-324395-v5uiuhih 94 28 units unit NNS cord-324395-v5uiuhih 94 29 of of IN cord-324395-v5uiuhih 94 30 the the DT cord-324395-v5uiuhih 94 31 desired desire VBN cord-324395-v5uiuhih 94 32 oligosaccharide oligosaccharide NN cord-324395-v5uiuhih 94 33 . . . cord-324395-v5uiuhih 95 1 The the DT cord-324395-v5uiuhih 95 2 topology topology NN cord-324395-v5uiuhih 95 3 tree tree NN cord-324395-v5uiuhih 95 4 is be VBZ cord-324395-v5uiuhih 95 5 a a DT cord-324395-v5uiuhih 95 6 string string NN cord-324395-v5uiuhih 95 7 representation representation NN cord-324395-v5uiuhih 95 8 of of IN cord-324395-v5uiuhih 95 9 a a DT cord-324395-v5uiuhih 95 10 glycan glycan NN cord-324395-v5uiuhih 95 11 . . . cord-324395-v5uiuhih 96 1 Sampler sampler NN cord-324395-v5uiuhih 96 2 class class NN cord-324395-v5uiuhih 96 3 implements implement VBZ cord-324395-v5uiuhih 96 4 a a DT cord-324395-v5uiuhih 96 5 genetic genetic JJ cord-324395-v5uiuhih 96 6 algorithm algorithm NN cord-324395-v5uiuhih 96 7 for for IN cord-324395-v5uiuhih 96 8 removing remove VBG cord-324395-v5uiuhih 96 9 clashes clash NNS cord-324395-v5uiuhih 96 10 between between IN cord-324395-v5uiuhih 96 11 Molecules molecule NNS cord-324395-v5uiuhih 96 12 and and CC cord-324395-v5uiuhih 96 13 their -PRON- PRP$ cord-324395-v5uiuhih 96 14 environment environment NN cord-324395-v5uiuhih 96 15 ( ( -LRB- cord-324395-v5uiuhih 96 16 e.g. e.g. RB cord-324395-v5uiuhih 96 17 , , , cord-324395-v5uiuhih 96 18 protein protein NN cord-324395-v5uiuhih 96 19 ) ) -RRB- cord-324395-v5uiuhih 96 20 . . . cord-324395-v5uiuhih 97 1 The the DT cord-324395-v5uiuhih 97 2 CHARMM CHARMM NNP cord-324395-v5uiuhih 97 3 force force NN cord-324395-v5uiuhih 97 4 field field NN cord-324395-v5uiuhih 97 5 energy energy NN cord-324395-v5uiuhih 97 6 function function NN cord-324395-v5uiuhih 97 7 for for IN cord-324395-v5uiuhih 97 8 the the DT cord-324395-v5uiuhih 97 9 torsional torsional JJ cord-324395-v5uiuhih 97 10 angles angle NNS cord-324395-v5uiuhih 97 11 will will MD cord-324395-v5uiuhih 97 12 be be VB cord-324395-v5uiuhih 97 13 used use VBN cord-324395-v5uiuhih 97 14 for for IN cord-324395-v5uiuhih 97 15 biasing bias VBG cord-324395-v5uiuhih 97 16 Table Table NNP cord-324395-v5uiuhih 97 17 1 1 CD cord-324395-v5uiuhih 97 18 List list NN cord-324395-v5uiuhih 97 19 of of IN cord-324395-v5uiuhih 97 20 functionalities functionality NNS cord-324395-v5uiuhih 97 21 offered offer VBN cord-324395-v5uiuhih 97 22 by by IN cord-324395-v5uiuhih 97 23 the the DT cord-324395-v5uiuhih 97 24 available available JJ cord-324395-v5uiuhih 97 25 software software NN cord-324395-v5uiuhih 97 26 and and CC cord-324395-v5uiuhih 97 27 webservers webserver NNS cord-324395-v5uiuhih 97 28 for for IN cord-324395-v5uiuhih 97 29 modeling model VBG cord-324395-v5uiuhih 97 30 glycans glycan NNS cord-324395-v5uiuhih 97 31 . . . cord-324395-v5uiuhih 98 1 CHARMM CHARMM NNP cord-324395-v5uiuhih 98 2 - - HYPH cord-324395-v5uiuhih 98 3 GUI GUI NNP cord-324395-v5uiuhih 98 4 includes include VBZ cord-324395-v5uiuhih 98 5 Glycan Glycan NNP cord-324395-v5uiuhih 98 6 Reader Reader NNP cord-324395-v5uiuhih 98 7 and and CC cord-324395-v5uiuhih 98 8 Modelers Modelers NNPS cord-324395-v5uiuhih 98 9 , , , cord-324395-v5uiuhih 98 10 as as RB cord-324395-v5uiuhih 98 11 well well RB cord-324395-v5uiuhih 98 12 as as IN cord-324395-v5uiuhih 98 13 the the DT cord-324395-v5uiuhih 98 14 glycolipid glycolipid NNP cord-324395-v5uiuhih 98 15 and and CC cord-324395-v5uiuhih 98 16 LPS LPS NNP cord-324395-v5uiuhih 98 17 modelers modeler NNS cord-324395-v5uiuhih 98 18 the the DT cord-324395-v5uiuhih 98 19 random random JJ cord-324395-v5uiuhih 98 20 number number NN cord-324395-v5uiuhih 98 21 generator generator NN cord-324395-v5uiuhih 98 22 and and CC cord-324395-v5uiuhih 98 23 to to TO cord-324395-v5uiuhih 98 24 sample sample VB cord-324395-v5uiuhih 98 25 more more RBR cord-324395-v5uiuhih 98 26 energetically energetically RB cord-324395-v5uiuhih 98 27 favorable favorable JJ cord-324395-v5uiuhih 98 28 torsional torsional JJ cord-324395-v5uiuhih 98 29 angles angle NNS cord-324395-v5uiuhih 98 30 [ [ -LRB- cord-324395-v5uiuhih 98 31 22 22 CD cord-324395-v5uiuhih 98 32 ] ] -RRB- cord-324395-v5uiuhih 98 33 . . . cord-324395-v5uiuhih 99 1 The the DT cord-324395-v5uiuhih 99 2 generation generation NN cord-324395-v5uiuhih 99 3 of of IN cord-324395-v5uiuhih 99 4 the the DT cord-324395-v5uiuhih 99 5 initial initial JJ cord-324395-v5uiuhih 99 6 population population NN cord-324395-v5uiuhih 99 7 can can MD cord-324395-v5uiuhih 99 8 be be VB cord-324395-v5uiuhih 99 9 skewed skewed JJ cord-324395-v5uiuhih 99 10 towards towards IN cord-324395-v5uiuhih 99 11 the the DT cord-324395-v5uiuhih 99 12 common common JJ cord-324395-v5uiuhih 99 13 co co NN cord-324395-v5uiuhih 99 14 - - NN cord-324395-v5uiuhih 99 15 dependence dependence NN cord-324395-v5uiuhih 99 16 of of IN cord-324395-v5uiuhih 99 17 angles angle NNS cord-324395-v5uiuhih 99 18 . . . cord-324395-v5uiuhih 100 1 The the DT cord-324395-v5uiuhih 100 2 fast fast JJ cord-324395-v5uiuhih 100 3 clash clash NN cord-324395-v5uiuhih 100 4 detection detection NN cord-324395-v5uiuhih 100 5 algorithm algorithm NN cord-324395-v5uiuhih 100 6 is be VBZ cord-324395-v5uiuhih 100 7 based base VBN cord-324395-v5uiuhih 100 8 on on IN cord-324395-v5uiuhih 100 9 K K NNP cord-324395-v5uiuhih 100 10 - - HYPH cord-324395-v5uiuhih 100 11 d d JJ cord-324395-v5uiuhih 100 12 trees tree NNS cord-324395-v5uiuhih 100 13 for for IN cord-324395-v5uiuhih 100 14 intra intra JJ cord-324395-v5uiuhih 100 15 - - JJ cord-324395-v5uiuhih 100 16 and and CC cord-324395-v5uiuhih 100 17 interclashes interclashe NNS cord-324395-v5uiuhih 100 18 of of IN cord-324395-v5uiuhih 100 19 glycans glycan NNS cord-324395-v5uiuhih 100 20 . . . cord-324395-v5uiuhih 101 1 Standard standard JJ cord-324395-v5uiuhih 101 2 grid grid NN cord-324395-v5uiuhih 101 3 mapping mapping NN cord-324395-v5uiuhih 101 4 is be VBZ cord-324395-v5uiuhih 101 5 used use VBN cord-324395-v5uiuhih 101 6 for for IN cord-324395-v5uiuhih 101 7 the the DT cord-324395-v5uiuhih 101 8 detection detection NN cord-324395-v5uiuhih 101 9 of of IN cord-324395-v5uiuhih 101 10 clashes clash NNS cord-324395-v5uiuhih 101 11 between between IN cord-324395-v5uiuhih 101 12 glycans glycan NNS cord-324395-v5uiuhih 101 13 and and CC cord-324395-v5uiuhih 101 14 their -PRON- PRP$ cord-324395-v5uiuhih 101 15 environment environment NN cord-324395-v5uiuhih 101 16 . . . cord-324395-v5uiuhih 102 1 To to TO cord-324395-v5uiuhih 102 2 reduce reduce VB cord-324395-v5uiuhih 102 3 the the DT cord-324395-v5uiuhih 102 4 search search NN cord-324395-v5uiuhih 102 5 space space NN cord-324395-v5uiuhih 102 6 , , , cord-324395-v5uiuhih 102 7 the the DT cord-324395-v5uiuhih 102 8 genetic genetic JJ cord-324395-v5uiuhih 102 9 algorithm algorithm NN cord-324395-v5uiuhih 102 10 iteratively iteratively RB cord-324395-v5uiuhih 102 11 optimizes optimize VBZ cord-324395-v5uiuhih 102 12 subsets subset NNS cord-324395-v5uiuhih 102 13 of of IN cord-324395-v5uiuhih 102 14 glycans glycan NNS cord-324395-v5uiuhih 102 15 with with IN cord-324395-v5uiuhih 102 16 the the DT cord-324395-v5uiuhih 102 17 highest high JJS cord-324395-v5uiuhih 102 18 number number NN cord-324395-v5uiuhih 102 19 of of IN cord-324395-v5uiuhih 102 20 steric steric JJ cord-324395-v5uiuhih 102 21 clashes clash NNS cord-324395-v5uiuhih 102 22 . . . cord-324395-v5uiuhih 103 1 Drawer drawer NN cord-324395-v5uiuhih 103 2 class class NN cord-324395-v5uiuhih 103 3 is be VBZ cord-324395-v5uiuhih 103 4 used use VBN cord-324395-v5uiuhih 103 5 for for IN cord-324395-v5uiuhih 103 6 generating generate VBG cord-324395-v5uiuhih 103 7 2D 2d JJ cord-324395-v5uiuhih 103 8 symbolic symbolic JJ cord-324395-v5uiuhih 103 9 representations representation NNS cord-324395-v5uiuhih 103 10 of of IN cord-324395-v5uiuhih 103 11 glycans glycan NNS cord-324395-v5uiuhih 103 12 according accord VBG cord-324395-v5uiuhih 103 13 to to IN cord-324395-v5uiuhih 103 14 the the DT cord-324395-v5uiuhih 103 15 IUPAC IUPAC NNP cord-324395-v5uiuhih 103 16 standard standard NN cord-324395-v5uiuhih 103 17 . . . cord-324395-v5uiuhih 104 1 The the DT cord-324395-v5uiuhih 104 2 inter inter JJ cord-324395-v5uiuhih 104 3 - - JJ cord-324395-v5uiuhih 104 4 residue residue JJ cord-324395-v5uiuhih 104 5 connectivity connectivity NN cord-324395-v5uiuhih 104 6 graph graph NN cord-324395-v5uiuhih 104 7 stored store VBN cord-324395-v5uiuhih 104 8 in in IN cord-324395-v5uiuhih 104 9 a a DT cord-324395-v5uiuhih 104 10 Molecule Molecule NNP cord-324395-v5uiuhih 104 11 is be VBZ cord-324395-v5uiuhih 104 12 used use VBN cord-324395-v5uiuhih 104 13 for for IN cord-324395-v5uiuhih 104 14 drawing draw VBG cord-324395-v5uiuhih 104 15 the the DT cord-324395-v5uiuhih 104 16 connectivity connectivity NN cord-324395-v5uiuhih 104 17 of of IN cord-324395-v5uiuhih 104 18 a a DT cord-324395-v5uiuhih 104 19 glycan glycan NN cord-324395-v5uiuhih 104 20 . . . cord-324395-v5uiuhih 105 1 The the DT cord-324395-v5uiuhih 105 2 protein protein NN cord-324395-v5uiuhih 105 3 is be VBZ cord-324395-v5uiuhih 105 4 represented represent VBN cord-324395-v5uiuhih 105 5 as as IN cord-324395-v5uiuhih 105 6 a a DT cord-324395-v5uiuhih 105 7 ribbon ribbon NN cord-324395-v5uiuhih 105 8 , , , cord-324395-v5uiuhih 105 9 each each DT cord-324395-v5uiuhih 105 10 sequon sequon NN cord-324395-v5uiuhih 105 11 is be VBZ cord-324395-v5uiuhih 105 12 highlighted highlight VBN cord-324395-v5uiuhih 105 13 and and CC cord-324395-v5uiuhih 105 14 the the DT cord-324395-v5uiuhih 105 15 linked link VBN cord-324395-v5uiuhih 105 16 glycans glycan NNS cord-324395-v5uiuhih 105 17 are be VBP cord-324395-v5uiuhih 105 18 shown show VBN cord-324395-v5uiuhih 105 19 as as IN cord-324395-v5uiuhih 105 20 a a DT cord-324395-v5uiuhih 105 21 tree tree NN cord-324395-v5uiuhih 105 22 topology topology NN cord-324395-v5uiuhih 105 23 . . . cord-324395-v5uiuhih 106 1 The the DT cord-324395-v5uiuhih 106 2 graphical graphical JJ cord-324395-v5uiuhih 106 3 representation representation NN cord-324395-v5uiuhih 106 4 is be VBZ cord-324395-v5uiuhih 106 5 produced produce VBN cord-324395-v5uiuhih 106 6 with with IN cord-324395-v5uiuhih 106 7 Matplotlib Matplotlib NNP cord-324395-v5uiuhih 106 8 and and CC cord-324395-v5uiuhih 106 9 can can MD cord-324395-v5uiuhih 106 10 be be VB cord-324395-v5uiuhih 106 11 further further RB cord-324395-v5uiuhih 106 12 modified modify VBN cord-324395-v5uiuhih 106 13 by by IN cord-324395-v5uiuhih 106 14 the the DT cord-324395-v5uiuhih 106 15 users user NNS cord-324395-v5uiuhih 106 16 ( ( -LRB- cord-324395-v5uiuhih 106 17 e.g. e.g. RB cord-324395-v5uiuhih 106 18 , , , cord-324395-v5uiuhih 106 19 add add VB cord-324395-v5uiuhih 106 20 text text NN cord-324395-v5uiuhih 106 21 , , , cord-324395-v5uiuhih 106 22 rescale rescale VB cord-324395-v5uiuhih 106 23 ) ) -RRB- cord-324395-v5uiuhih 106 24 and and CC cord-324395-v5uiuhih 106 25 exported export VBN cord-324395-v5uiuhih 106 26 in in IN cord-324395-v5uiuhih 106 27 various various JJ cord-324395-v5uiuhih 106 28 image image NN cord-324395-v5uiuhih 106 29 formats format NNS cord-324395-v5uiuhih 106 30 . . . cord-324395-v5uiuhih 107 1 We -PRON- PRP cord-324395-v5uiuhih 107 2 compared compare VBD cord-324395-v5uiuhih 107 3 the the DT cord-324395-v5uiuhih 107 4 performance performance NN cord-324395-v5uiuhih 107 5 of of IN cord-324395-v5uiuhih 107 6 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 107 7 and and CC cord-324395-v5uiuhih 107 8 doGlycans doGlycans NNP cord-324395-v5uiuhih 107 9 , , , cord-324395-v5uiuhih 107 10 another another DT cord-324395-v5uiuhih 107 11 Python Python NNP cord-324395-v5uiuhih 107 12 framework framework NN cord-324395-v5uiuhih 107 13 for for IN cord-324395-v5uiuhih 107 14 modeling model VBG cord-324395-v5uiuhih 107 15 glycans glycan NNS cord-324395-v5uiuhih 107 16 using use VBG cord-324395-v5uiuhih 107 17 three three CD cord-324395-v5uiuhih 107 18 representative representative JJ cord-324395-v5uiuhih 107 19 viral viral JJ cord-324395-v5uiuhih 107 20 envelope envelope NN cord-324395-v5uiuhih 107 21 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 107 22 , , , cord-324395-v5uiuhih 107 23 each each DT cord-324395-v5uiuhih 107 24 containing contain VBG cord-324395-v5uiuhih 107 25 different different JJ cord-324395-v5uiuhih 107 26 numbers number NNS cord-324395-v5uiuhih 107 27 of of IN cord-324395-v5uiuhih 107 28 glycosylation glycosylation NN cord-324395-v5uiuhih 107 29 sites site NNS cord-324395-v5uiuhih 107 30 and and CC cord-324395-v5uiuhih 107 31 overall overall JJ cord-324395-v5uiuhih 107 32 glycan glycan NN cord-324395-v5uiuhih 107 33 density density NN cord-324395-v5uiuhih 107 34 . . . cord-324395-v5uiuhih 108 1 The the DT cord-324395-v5uiuhih 108 2 glycans glycan NNS cord-324395-v5uiuhih 108 3 on on IN cord-324395-v5uiuhih 108 4 the the DT cord-324395-v5uiuhih 108 5 surface surface NN cord-324395-v5uiuhih 108 6 of of IN cord-324395-v5uiuhih 108 7 these these DT cord-324395-v5uiuhih 108 8 proteins protein NNS cord-324395-v5uiuhih 108 9 create create VBP cord-324395-v5uiuhih 108 10 a a DT cord-324395-v5uiuhih 108 11 shield shield NN cord-324395-v5uiuhih 108 12 that that WDT cord-324395-v5uiuhih 108 13 helps help VBZ cord-324395-v5uiuhih 108 14 them -PRON- PRP cord-324395-v5uiuhih 108 15 to to TO cord-324395-v5uiuhih 108 16 evade evade VB cord-324395-v5uiuhih 108 17 the the DT cord-324395-v5uiuhih 108 18 host host NN cord-324395-v5uiuhih 108 19 's 's POS cord-324395-v5uiuhih 108 20 immune immune JJ cord-324395-v5uiuhih 108 21 system system NN cord-324395-v5uiuhih 108 22 [ [ -LRB- cord-324395-v5uiuhih 108 23 28 28 CD cord-324395-v5uiuhih 108 24 ] ] -RRB- cord-324395-v5uiuhih 108 25 . . . cord-324395-v5uiuhih 109 1 For for IN cord-324395-v5uiuhih 109 2 the the DT cord-324395-v5uiuhih 109 3 benchmark benchmark NN cord-324395-v5uiuhih 109 4 , , , cord-324395-v5uiuhih 109 5 a a DT cord-324395-v5uiuhih 109 6 mannose mannose NN cord-324395-v5uiuhih 109 7 9 9 CD cord-324395-v5uiuhih 109 8 was be VBD cord-324395-v5uiuhih 109 9 modeled model VBN cord-324395-v5uiuhih 109 10 at at IN cord-324395-v5uiuhih 109 11 each each DT cord-324395-v5uiuhih 109 12 sequon sequon NN cord-324395-v5uiuhih 109 13 , , , cord-324395-v5uiuhih 109 14 mimicking mimic VBG cord-324395-v5uiuhih 109 15 the the DT cord-324395-v5uiuhih 109 16 glycosylation glycosylation NN cord-324395-v5uiuhih 109 17 state state NN cord-324395-v5uiuhih 109 18 before before IN cord-324395-v5uiuhih 109 19 exiting exit VBG cord-324395-v5uiuhih 109 20 the the DT cord-324395-v5uiuhih 109 21 endoplasmic endoplasmic NN cord-324395-v5uiuhih 109 22 reticulum reticulum NN cord-324395-v5uiuhih 109 23 [ [ -LRB- cord-324395-v5uiuhih 109 24 29 29 CD cord-324395-v5uiuhih 109 25 ] ] -RRB- cord-324395-v5uiuhih 109 26 . . . cord-324395-v5uiuhih 110 1 The the DT cord-324395-v5uiuhih 110 2 topology topology NN cord-324395-v5uiuhih 110 3 of of IN cord-324395-v5uiuhih 110 4 the the DT cord-324395-v5uiuhih 110 5 glycosylated glycosylated JJ cord-324395-v5uiuhih 110 6 structure structure NN cord-324395-v5uiuhih 110 7 was be VBD cord-324395-v5uiuhih 110 8 generated generate VBN cord-324395-v5uiuhih 110 9 with with IN cord-324395-v5uiuhih 110 10 the the DT cord-324395-v5uiuhih 110 11 autopsf autopsf JJ cord-324395-v5uiuhih 110 12 plug plug NN cord-324395-v5uiuhih 110 13 - - HYPH cord-324395-v5uiuhih 110 14 in in NN cord-324395-v5uiuhih 110 15 of of IN cord-324395-v5uiuhih 110 16 VMD VMD NNP cord-324395-v5uiuhih 110 17 [ [ -LRB- cord-324395-v5uiuhih 110 18 30 30 CD cord-324395-v5uiuhih 110 19 ] ] -RRB- cord-324395-v5uiuhih 110 20 . . . cord-324395-v5uiuhih 111 1 Each each DT cord-324395-v5uiuhih 111 2 glycoprotein glycoprotein NN cord-324395-v5uiuhih 111 3 was be VBD cord-324395-v5uiuhih 111 4 then then RB cord-324395-v5uiuhih 111 5 minimized minimize VBN cord-324395-v5uiuhih 111 6 with with IN cord-324395-v5uiuhih 111 7 5000 5000 CD cord-324395-v5uiuhih 111 8 steps step NNS cord-324395-v5uiuhih 111 9 of of IN cord-324395-v5uiuhih 111 10 conjugate conjugate JJ cord-324395-v5uiuhih 111 11 gradient gradient NN cord-324395-v5uiuhih 111 12 optimization optimization NN cord-324395-v5uiuhih 111 13 in in IN cord-324395-v5uiuhih 111 14 NAMD NAMD NNP cord-324395-v5uiuhih 111 15 [ [ -LRB- cord-324395-v5uiuhih 111 16 31 31 CD cord-324395-v5uiuhih 111 17 ] ] -RRB- cord-324395-v5uiuhih 111 18 . . . cord-324395-v5uiuhih 112 1 The the DT cord-324395-v5uiuhih 112 2 resulting result VBG cord-324395-v5uiuhih 112 3 energy energy NN cord-324395-v5uiuhih 112 4 - - HYPH cord-324395-v5uiuhih 112 5 minimized minimize VBN cord-324395-v5uiuhih 112 6 model model NN cord-324395-v5uiuhih 112 7 was be VBD cord-324395-v5uiuhih 112 8 then then RB cord-324395-v5uiuhih 112 9 submitted submit VBN cord-324395-v5uiuhih 112 10 for for IN cord-324395-v5uiuhih 112 11 a a DT cord-324395-v5uiuhih 112 12 sanity sanity NN cord-324395-v5uiuhih 112 13 check check NN cord-324395-v5uiuhih 112 14 to to IN cord-324395-v5uiuhih 112 15 pdb pdb NN cord-324395-v5uiuhih 112 16 - - HYPH cord-324395-v5uiuhih 112 17 care care NN cord-324395-v5uiuhih 112 18 ( ( -LRB- cord-324395-v5uiuhih 112 19 http:// http:// NNP cord-324395-v5uiuhih 112 20 www.glycosciences.de/tools/pdb-care/ www.glycosciences.de/tools/pdb-care/ NNP cord-324395-v5uiuhih 112 21 ) ) -RRB- cord-324395-v5uiuhih 112 22 , , , cord-324395-v5uiuhih 112 23 a a DT cord-324395-v5uiuhih 112 24 powerful powerful JJ cord-324395-v5uiuhih 112 25 tool tool NN cord-324395-v5uiuhih 112 26 that that WDT cord-324395-v5uiuhih 112 27 checks check VBZ cord-324395-v5uiuhih 112 28 the the DT cord-324395-v5uiuhih 112 29 connectivity connectivity NN cord-324395-v5uiuhih 112 30 and and CC cord-324395-v5uiuhih 112 31 nomenclature nomenclature NN cord-324395-v5uiuhih 112 32 in in IN cord-324395-v5uiuhih 112 33 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 112 34 [ [ -LRB- cord-324395-v5uiuhih 112 35 32 32 CD cord-324395-v5uiuhih 112 36 ] ] -RRB- cord-324395-v5uiuhih 112 37 . . . cord-324395-v5uiuhih 113 1 We -PRON- PRP cord-324395-v5uiuhih 113 2 observed observe VBD cord-324395-v5uiuhih 113 3 that that IN cord-324395-v5uiuhih 113 4 all all DT cord-324395-v5uiuhih 113 5 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 113 6 modeled model VBN cord-324395-v5uiuhih 113 7 with with IN cord-324395-v5uiuhih 113 8 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 113 9 had have VBD cord-324395-v5uiuhih 113 10 a a DT cord-324395-v5uiuhih 113 11 lower low JJR cord-324395-v5uiuhih 113 12 potential potential JJ cord-324395-v5uiuhih 113 13 energy energy NN cord-324395-v5uiuhih 113 14 and and CC cord-324395-v5uiuhih 113 15 were be VBD cord-324395-v5uiuhih 113 16 devoid devoid JJ cord-324395-v5uiuhih 113 17 of of IN cord-324395-v5uiuhih 113 18 any any DT cord-324395-v5uiuhih 113 19 steric steric JJ cord-324395-v5uiuhih 113 20 clashes clash NNS cord-324395-v5uiuhih 113 21 and and CC cord-324395-v5uiuhih 113 22 topological topological JJ cord-324395-v5uiuhih 113 23 errors error NNS cord-324395-v5uiuhih 113 24 ( ( -LRB- cord-324395-v5uiuhih 113 25 Table table NN cord-324395-v5uiuhih 113 26 2 2 CD cord-324395-v5uiuhih 113 27 ) ) -RRB- cord-324395-v5uiuhih 113 28 . . . cord-324395-v5uiuhih 114 1 For for IN cord-324395-v5uiuhih 114 2 structures structure NNS cord-324395-v5uiuhih 114 3 with with IN cord-324395-v5uiuhih 114 4 a a DT cord-324395-v5uiuhih 114 5 low low JJ cord-324395-v5uiuhih 114 6 density density NN cord-324395-v5uiuhih 114 7 of of IN cord-324395-v5uiuhih 114 8 sequons sequon NNS cord-324395-v5uiuhih 114 9 , , , cord-324395-v5uiuhih 114 10 such such JJ cord-324395-v5uiuhih 114 11 as as IN cord-324395-v5uiuhih 114 12 Influenza Influenza NNP cord-324395-v5uiuhih 114 13 's 's POS cord-324395-v5uiuhih 114 14 hemagglutinin hemagglutinin NN cord-324395-v5uiuhih 114 15 , , , cord-324395-v5uiuhih 114 16 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 114 17 and and CC cord-324395-v5uiuhih 114 18 doGlycans doGlycans NNP cord-324395-v5uiuhih 114 19 performed perform VBD cord-324395-v5uiuhih 114 20 similarly similarly RB cord-324395-v5uiuhih 114 21 . . . cord-324395-v5uiuhih 115 1 However however RB cord-324395-v5uiuhih 115 2 , , , cord-324395-v5uiuhih 115 3 a a DT cord-324395-v5uiuhih 115 4 simple simple JJ cord-324395-v5uiuhih 115 5 minimization minimization NN cord-324395-v5uiuhih 115 6 was be VBD cord-324395-v5uiuhih 115 7 insufficient insufficient JJ cord-324395-v5uiuhih 115 8 for for IN cord-324395-v5uiuhih 115 9 removing remove VBG cord-324395-v5uiuhih 115 10 steric steric JJ cord-324395-v5uiuhih 115 11 clashes clash NNS cord-324395-v5uiuhih 115 12 from from IN cord-324395-v5uiuhih 115 13 the the DT cord-324395-v5uiuhih 115 14 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 115 15 Envelope Envelope NNP cord-324395-v5uiuhih 115 16 trimer trimer NN cord-324395-v5uiuhih 115 17 and and CC cord-324395-v5uiuhih 115 18 Delta Delta NNP cord-324395-v5uiuhih 115 19 coronavirus coronavirus NN cord-324395-v5uiuhih 115 20 spike spike NN cord-324395-v5uiuhih 115 21 protein protein NN cord-324395-v5uiuhih 115 22 structures structure NNS cord-324395-v5uiuhih 115 23 using use VBG cord-324395-v5uiuhih 115 24 doGlycans doglycan NNS cord-324395-v5uiuhih 115 25 . . . cord-324395-v5uiuhih 116 1 The the DT cord-324395-v5uiuhih 116 2 density density NN cord-324395-v5uiuhih 116 3 of of IN cord-324395-v5uiuhih 116 4 sequons sequon NNS cord-324395-v5uiuhih 116 5 at at IN cord-324395-v5uiuhih 116 6 the the DT cord-324395-v5uiuhih 116 7 surface surface NN cord-324395-v5uiuhih 116 8 of of IN cord-324395-v5uiuhih 116 9 these these DT cord-324395-v5uiuhih 116 10 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 116 11 is be VBZ cord-324395-v5uiuhih 116 12 high high JJ cord-324395-v5uiuhih 116 13 , , , cord-324395-v5uiuhih 116 14 requiring require VBG cord-324395-v5uiuhih 116 15 a a DT cord-324395-v5uiuhih 116 16 more more RBR cord-324395-v5uiuhih 116 17 effective effective JJ cord-324395-v5uiuhih 116 18 strategy strategy NN cord-324395-v5uiuhih 116 19 for for IN cord-324395-v5uiuhih 116 20 removing remove VBG cord-324395-v5uiuhih 116 21 clashes clash NNS cord-324395-v5uiuhih 116 22 , , , cord-324395-v5uiuhih 116 23 such such JJ cord-324395-v5uiuhih 116 24 as as IN cord-324395-v5uiuhih 116 25 provided provide VBN cord-324395-v5uiuhih 116 26 by by IN cord-324395-v5uiuhih 116 27 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 116 28 's 's POS cord-324395-v5uiuhih 116 29 Sampler Sampler NNP cord-324395-v5uiuhih 116 30 Class Class NNP cord-324395-v5uiuhih 116 31 . . . cord-324395-v5uiuhih 117 1 The the DT cord-324395-v5uiuhih 117 2 steric steric JJ cord-324395-v5uiuhih 117 3 clashes clash NNS cord-324395-v5uiuhih 117 4 present present JJ cord-324395-v5uiuhih 117 5 in in IN cord-324395-v5uiuhih 117 6 the the DT cord-324395-v5uiuhih 117 7 structures structure NNS cord-324395-v5uiuhih 117 8 produced produce VBN cord-324395-v5uiuhih 117 9 with with IN cord-324395-v5uiuhih 117 10 doGlycans doGlycans NNP cord-324395-v5uiuhih 117 11 lead lead VBP cord-324395-v5uiuhih 117 12 topological topological JJ cord-324395-v5uiuhih 117 13 errors error NNS cord-324395-v5uiuhih 117 14 , , , cord-324395-v5uiuhih 117 15 such such JJ cord-324395-v5uiuhih 117 16 as as IN cord-324395-v5uiuhih 117 17 ring ring NN cord-324395-v5uiuhih 117 18 puckering puckering NN cord-324395-v5uiuhih 117 19 after after IN cord-324395-v5uiuhih 117 20 minimizations minimization NNS cord-324395-v5uiuhih 117 21 . . . cord-324395-v5uiuhih 118 1 In in IN cord-324395-v5uiuhih 118 2 order order NN cord-324395-v5uiuhih 118 3 to to TO cord-324395-v5uiuhih 118 4 solve solve VB cord-324395-v5uiuhih 118 5 this this DT cord-324395-v5uiuhih 118 6 issue issue NN cord-324395-v5uiuhih 118 7 , , , cord-324395-v5uiuhih 118 8 the the DT cord-324395-v5uiuhih 118 9 torsional torsional JJ cord-324395-v5uiuhih 118 10 angles angle NNS cord-324395-v5uiuhih 118 11 would would MD cord-324395-v5uiuhih 118 12 have have VB cord-324395-v5uiuhih 118 13 to to TO cord-324395-v5uiuhih 118 14 be be VB cord-324395-v5uiuhih 118 15 manually manually RB cord-324395-v5uiuhih 118 16 adjusted adjust VBN cord-324395-v5uiuhih 118 17 by by IN cord-324395-v5uiuhih 118 18 the the DT cord-324395-v5uiuhih 118 19 user user NN cord-324395-v5uiuhih 118 20 . . . cord-324395-v5uiuhih 119 1 As as IN cord-324395-v5uiuhih 119 2 an an DT cord-324395-v5uiuhih 119 3 additional additional JJ cord-324395-v5uiuhih 119 4 test test NN cord-324395-v5uiuhih 119 5 case case NN cord-324395-v5uiuhih 119 6 , , , cord-324395-v5uiuhih 119 7 we -PRON- PRP cord-324395-v5uiuhih 119 8 modeled model VBD cord-324395-v5uiuhih 119 9 the the DT cord-324395-v5uiuhih 119 10 glycan glycan NN cord-324395-v5uiuhih 119 11 shield shield NN cord-324395-v5uiuhih 119 12 of of IN cord-324395-v5uiuhih 119 13 the the DT cord-324395-v5uiuhih 119 14 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 119 15 Env Env NNP cord-324395-v5uiuhih 119 16 trimer trimer NN cord-324395-v5uiuhih 119 17 using use VBG cord-324395-v5uiuhih 119 18 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 119 19 . . . cord-324395-v5uiuhih 120 1 The the DT cord-324395-v5uiuhih 120 2 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 120 3 Env Env NNP cord-324395-v5uiuhih 120 4 trimer trimer NN cord-324395-v5uiuhih 120 5 consists consist VBZ cord-324395-v5uiuhih 120 6 of of IN cord-324395-v5uiuhih 120 7 80 80 CD cord-324395-v5uiuhih 120 8 - - SYM cord-324395-v5uiuhih 120 9 100 100 CD cord-324395-v5uiuhih 120 10 sequons sequon NNS cord-324395-v5uiuhih 120 11 making make VBG cord-324395-v5uiuhih 120 12 it -PRON- PRP cord-324395-v5uiuhih 120 13 one one CD cord-324395-v5uiuhih 120 14 of of IN cord-324395-v5uiuhih 120 15 the the DT cord-324395-v5uiuhih 120 16 most most RBS cord-324395-v5uiuhih 120 17 highly highly RB cord-324395-v5uiuhih 120 18 glycosylated glycosylated JJ cord-324395-v5uiuhih 120 19 proteins protein NNS cord-324395-v5uiuhih 120 20 currently currently RB cord-324395-v5uiuhih 120 21 known know VBN cord-324395-v5uiuhih 120 22 . . . cord-324395-v5uiuhih 121 1 We -PRON- PRP cord-324395-v5uiuhih 121 2 chose choose VBD cord-324395-v5uiuhih 121 3 the the DT cord-324395-v5uiuhih 121 4 BG505-SOSIP BG505-SOSIP NNP cord-324395-v5uiuhih 121 5 structure structure NN cord-324395-v5uiuhih 121 6 with with IN cord-324395-v5uiuhih 121 7 PDB PDB NNP cord-324395-v5uiuhih 121 8 : : : cord-324395-v5uiuhih 121 9 ID ID NNP cord-324395-v5uiuhih 121 10 5fyl 5fyl CD cord-324395-v5uiuhih 121 11 , , , cord-324395-v5uiuhih 121 12 [ [ -LRB- cord-324395-v5uiuhih 121 13 33 33 CD cord-324395-v5uiuhih 121 14 ] ] -RRB- cord-324395-v5uiuhih 121 15 ) ) -RRB- cord-324395-v5uiuhih 121 16 as as IN cord-324395-v5uiuhih 121 17 the the DT cord-324395-v5uiuhih 121 18 starting starting NN cord-324395-v5uiuhih 121 19 structure structure NN cord-324395-v5uiuhih 121 20 . . . cord-324395-v5uiuhih 122 1 First first RB cord-324395-v5uiuhih 122 2 , , , cord-324395-v5uiuhih 122 3 all all DT cord-324395-v5uiuhih 122 4 crystallographically crystallographically RB cord-324395-v5uiuhih 122 5 - - HYPH cord-324395-v5uiuhih 122 6 determined determine VBN cord-324395-v5uiuhih 122 7 glycans glycan NNS cord-324395-v5uiuhih 122 8 were be VBD cord-324395-v5uiuhih 122 9 identified identify VBN cord-324395-v5uiuhih 122 10 and and CC cord-324395-v5uiuhih 122 11 hydrogenated hydrogenate VBN cord-324395-v5uiuhih 122 12 ( ( -LRB- cord-324395-v5uiuhih 122 13 Fig Fig NNP cord-324395-v5uiuhih 122 14 . . NNP cord-324395-v5uiuhih 122 15 1 1 CD cord-324395-v5uiuhih 122 16 , , , cord-324395-v5uiuhih 122 17 upper upper JJ cord-324395-v5uiuhih 122 18 left left JJ cord-324395-v5uiuhih 122 19 triangle triangle NN cord-324395-v5uiuhih 122 20 ) ) -RRB- cord-324395-v5uiuhih 122 21 . . . cord-324395-v5uiuhih 123 1 The the DT cord-324395-v5uiuhih 123 2 ribbon ribbon NN cord-324395-v5uiuhih 123 3 representation representation NN cord-324395-v5uiuhih 123 4 allowed allow VBN cord-324395-v5uiuhih 123 5 for for IN cord-324395-v5uiuhih 123 6 a a DT cord-324395-v5uiuhih 123 7 quick quick JJ cord-324395-v5uiuhih 123 8 visual visual JJ cord-324395-v5uiuhih 123 9 inspection inspection NN cord-324395-v5uiuhih 123 10 of of IN cord-324395-v5uiuhih 123 11 the the DT cord-324395-v5uiuhih 123 12 identified identify VBN cord-324395-v5uiuhih 123 13 N n NN cord-324395-v5uiuhih 123 14 - - HYPH cord-324395-v5uiuhih 123 15 linked link VBN cord-324395-v5uiuhih 123 16 sequons sequon NNS cord-324395-v5uiuhih 123 17 and and CC cord-324395-v5uiuhih 123 18 linked link VBN cord-324395-v5uiuhih 123 19 glycans glycan NNS cord-324395-v5uiuhih 123 20 . . . cord-324395-v5uiuhih 124 1 A a DT cord-324395-v5uiuhih 124 2 combination combination NN cord-324395-v5uiuhih 124 3 of of IN cord-324395-v5uiuhih 124 4 mannose mannose NN cord-324395-v5uiuhih 124 5 5 5 CD cord-324395-v5uiuhih 124 6 , , , cord-324395-v5uiuhih 124 7 mannose mannose NN cord-324395-v5uiuhih 124 8 9 9 CD cord-324395-v5uiuhih 124 9 and and CC cord-324395-v5uiuhih 124 10 complex complex JJ cord-324395-v5uiuhih 124 11 glycans glycan NNS cord-324395-v5uiuhih 124 12 was be VBD cord-324395-v5uiuhih 124 13 then then RB cord-324395-v5uiuhih 124 14 modeled model VBN cord-324395-v5uiuhih 124 15 ab ab NN cord-324395-v5uiuhih 124 16 initio initio NNS cord-324395-v5uiuhih 124 17 or or CC cord-324395-v5uiuhih 124 18 by by IN cord-324395-v5uiuhih 124 19 extending extend VBG cord-324395-v5uiuhih 124 20 existing exist VBG cord-324395-v5uiuhih 124 21 glycans glycan NNS cord-324395-v5uiuhih 124 22 to to TO cord-324395-v5uiuhih 124 23 produce produce VB cord-324395-v5uiuhih 124 24 a a DT cord-324395-v5uiuhih 124 25 more more RBR cord-324395-v5uiuhih 124 26 biologically biologically RB cord-324395-v5uiuhih 124 27 relevant relevant JJ cord-324395-v5uiuhih 124 28 glycoform glycoform NN cord-324395-v5uiuhih 124 29 of of IN cord-324395-v5uiuhih 124 30 the the DT cord-324395-v5uiuhih 124 31 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 124 32 Env Env NNP cord-324395-v5uiuhih 124 33 trimer trimer NN cord-324395-v5uiuhih 124 34 ( ( -LRB- cord-324395-v5uiuhih 124 35 Fig Fig NNP cord-324395-v5uiuhih 124 36 . . NNP cord-324395-v5uiuhih 124 37 1 1 CD cord-324395-v5uiuhih 124 38 , , , cord-324395-v5uiuhih 124 39 lower low JJR cord-324395-v5uiuhih 124 40 right right JJ cord-324395-v5uiuhih 124 41 _SP cord-324395-v5uiuhih 124 42 triangle triangle NN cord-324395-v5uiuhih 124 43 ) ) -RRB- cord-324395-v5uiuhih 124 44 . . . cord-324395-v5uiuhih 125 1 The the DT cord-324395-v5uiuhih 125 2 Sampler Sampler NNP cord-324395-v5uiuhih 125 3 function function NN cord-324395-v5uiuhih 125 4 in in IN cord-324395-v5uiuhih 125 5 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 125 6 was be VBD cord-324395-v5uiuhih 125 7 then then RB cord-324395-v5uiuhih 125 8 used use VBN cord-324395-v5uiuhih 125 9 to to TO cord-324395-v5uiuhih 125 10 remove remove VB cord-324395-v5uiuhih 125 11 all all DT cord-324395-v5uiuhih 125 12 major major JJ cord-324395-v5uiuhih 125 13 clashes clash NNS cord-324395-v5uiuhih 125 14 , , , cord-324395-v5uiuhih 125 15 such such JJ cord-324395-v5uiuhih 125 16 that that IN cord-324395-v5uiuhih 125 17 the the DT cord-324395-v5uiuhih 125 18 Table Table NNP cord-324395-v5uiuhih 125 19 2 2 CD cord-324395-v5uiuhih 125 20 Benchmark Benchmark NNP cord-324395-v5uiuhih 125 21 comparing compare VBG cord-324395-v5uiuhih 125 22 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 125 23 and and CC cord-324395-v5uiuhih 125 24 doGlycans doGlycans NNP cord-324395-v5uiuhih 125 25 . . . cord-324395-v5uiuhih 126 1 The the DT cord-324395-v5uiuhih 126 2 average average JJ cord-324395-v5uiuhih 126 3 minimum minimum JJ cord-324395-v5uiuhih 126 4 distance distance NN cord-324395-v5uiuhih 126 5 between between IN cord-324395-v5uiuhih 126 6 sequons sequon NNS cord-324395-v5uiuhih 126 7 was be VBD cord-324395-v5uiuhih 126 8 computed compute VBN cord-324395-v5uiuhih 126 9 between between IN cord-324395-v5uiuhih 126 10 the the DT cord-324395-v5uiuhih 126 11 closest close JJS cord-324395-v5uiuhih 126 12 pairs pair NNS cord-324395-v5uiuhih 126 13 of of IN cord-324395-v5uiuhih 126 14 asparagine asparagine JJ cord-324395-v5uiuhih 126 15 Cα Cα NNP cord-324395-v5uiuhih 126 16 atoms atom NNS cord-324395-v5uiuhih 126 17 . . . cord-324395-v5uiuhih 127 1 The the DT cord-324395-v5uiuhih 127 2 number number NN cord-324395-v5uiuhih 127 3 of of IN cord-324395-v5uiuhih 127 4 issues issue NNS cord-324395-v5uiuhih 127 5 accounts account VBZ cord-324395-v5uiuhih 127 6 for for IN cord-324395-v5uiuhih 127 7 errors error NNS cord-324395-v5uiuhih 127 8 in in IN cord-324395-v5uiuhih 127 9 glycan glycan NN cord-324395-v5uiuhih 127 10 connectivity connectivity NN cord-324395-v5uiuhih 127 11 and and CC cord-324395-v5uiuhih 127 12 nomenclature nomenclature NN cord-324395-v5uiuhih 127 13 due due JJ cord-324395-v5uiuhih 127 14 to to IN cord-324395-v5uiuhih 127 15 steric steric JJ cord-324395-v5uiuhih 127 16 clashes clash NNS cord-324395-v5uiuhih 127 17 . . . cord-324395-v5uiuhih 128 1 The the DT cord-324395-v5uiuhih 128 2 potential potential JJ cord-324395-v5uiuhih 128 3 energy energy NN cord-324395-v5uiuhih 128 4 was be VBD cord-324395-v5uiuhih 128 5 calculated calculate VBN cord-324395-v5uiuhih 128 6 after after IN cord-324395-v5uiuhih 128 7 5000 5000 CD cord-324395-v5uiuhih 128 8 steps step NNS cord-324395-v5uiuhih 128 9 of of IN cord-324395-v5uiuhih 128 10 conjugate conjugate JJ cord-324395-v5uiuhih 128 11 gradient gradient NN cord-324395-v5uiuhih 128 12 energy energy NN cord-324395-v5uiuhih 128 13 minimization minimization NN cord-324395-v5uiuhih 128 14 Better well JJR cord-324395-v5uiuhih 128 15 performance performance NN cord-324395-v5uiuhih 128 16 are be VBP cord-324395-v5uiuhih 128 17 highlighted highlight VBN cord-324395-v5uiuhih 128 18 in in IN cord-324395-v5uiuhih 128 19 bold bold JJ cord-324395-v5uiuhih 128 20 topology topology NN cord-324395-v5uiuhih 128 21 of of IN cord-324395-v5uiuhih 128 22 the the DT cord-324395-v5uiuhih 128 23 full full JJ cord-324395-v5uiuhih 128 24 glycoprotein glycoprotein NN cord-324395-v5uiuhih 128 25 could could MD cord-324395-v5uiuhih 128 26 be be VB cord-324395-v5uiuhih 128 27 generated generate VBN cord-324395-v5uiuhih 128 28 directly directly RB cord-324395-v5uiuhih 128 29 with with IN cord-324395-v5uiuhih 128 30 the the DT cord-324395-v5uiuhih 128 31 autopsf autopsf JJ cord-324395-v5uiuhih 128 32 plug plug NN cord-324395-v5uiuhih 128 33 - - HYPH cord-324395-v5uiuhih 128 34 in in NN cord-324395-v5uiuhih 128 35 of of IN cord-324395-v5uiuhih 128 36 VMD VMD NNP cord-324395-v5uiuhih 128 37 [ [ -LRB- cord-324395-v5uiuhih 128 38 30 30 CD cord-324395-v5uiuhih 128 39 ] ] -RRB- cord-324395-v5uiuhih 128 40 . . . cord-324395-v5uiuhih 129 1 The the DT cord-324395-v5uiuhih 129 2 remaining remain VBG cord-324395-v5uiuhih 129 3 clashes clash NNS cord-324395-v5uiuhih 129 4 were be VBD cord-324395-v5uiuhih 129 5 quickly quickly RB cord-324395-v5uiuhih 129 6 removed remove VBN cord-324395-v5uiuhih 129 7 with with IN cord-324395-v5uiuhih 129 8 5000 5000 CD cord-324395-v5uiuhih 129 9 steps step NNS cord-324395-v5uiuhih 129 10 of of IN cord-324395-v5uiuhih 129 11 conjugate conjugate JJ cord-324395-v5uiuhih 129 12 gradient gradient NN cord-324395-v5uiuhih 129 13 energy energy NN cord-324395-v5uiuhih 129 14 minimization minimization NN cord-324395-v5uiuhih 129 15 in in IN cord-324395-v5uiuhih 129 16 NAMD NAMD NNP cord-324395-v5uiuhih 129 17 [ [ -LRB- cord-324395-v5uiuhih 129 18 31 31 CD cord-324395-v5uiuhih 129 19 ] ] -RRB- cord-324395-v5uiuhih 129 20 . . . cord-324395-v5uiuhih 130 1 The the DT cord-324395-v5uiuhih 130 2 resulting result VBG cord-324395-v5uiuhih 130 3 model model NN cord-324395-v5uiuhih 130 4 was be VBD cord-324395-v5uiuhih 130 5 then then RB cord-324395-v5uiuhih 130 6 submitted submit VBN cord-324395-v5uiuhih 130 7 to to IN cord-324395-v5uiuhih 130 8 the the DT cord-324395-v5uiuhih 130 9 pdb pdb NN cord-324395-v5uiuhih 130 10 - - HYPH cord-324395-v5uiuhih 130 11 care care NN cord-324395-v5uiuhih 130 12 server server NN cord-324395-v5uiuhih 130 13 [ [ -LRB- cord-324395-v5uiuhih 130 14 32 32 CD cord-324395-v5uiuhih 130 15 ] ] -RRB- cord-324395-v5uiuhih 130 16 for for IN cord-324395-v5uiuhih 130 17 a a DT cord-324395-v5uiuhih 130 18 sanity sanity NN cord-324395-v5uiuhih 130 19 check check NN cord-324395-v5uiuhih 130 20 and and CC cord-324395-v5uiuhih 130 21 we -PRON- PRP cord-324395-v5uiuhih 130 22 found find VBD cord-324395-v5uiuhih 130 23 no no DT cord-324395-v5uiuhih 130 24 discrepancies discrepancy NNS cord-324395-v5uiuhih 130 25 in in IN cord-324395-v5uiuhih 130 26 connectivity connectivity NN cord-324395-v5uiuhih 130 27 . . . cord-324395-v5uiuhih 131 1 The the DT cord-324395-v5uiuhih 131 2 Python Python NNP cord-324395-v5uiuhih 131 3 script script NN cord-324395-v5uiuhih 131 4 used use VBN cord-324395-v5uiuhih 131 5 for for IN cord-324395-v5uiuhih 131 6 this this DT cord-324395-v5uiuhih 131 7 example example NN cord-324395-v5uiuhih 131 8 is be VBZ cord-324395-v5uiuhih 131 9 available available JJ cord-324395-v5uiuhih 131 10 in in IN cord-324395-v5uiuhih 131 11 the the DT cord-324395-v5uiuhih 131 12 GitHub GitHub NNP cord-324395-v5uiuhih 131 13 repository repository NN cord-324395-v5uiuhih 131 14 . . . cord-324395-v5uiuhih 132 1 Two two CD cord-324395-v5uiuhih 132 2 additional additional JJ cord-324395-v5uiuhih 132 3 examples example NNS cord-324395-v5uiuhih 132 4 for for IN cord-324395-v5uiuhih 132 5 building building NN cord-324395-v5uiuhih 132 6 and and CC cord-324395-v5uiuhih 132 7 identifying identify VBG cord-324395-v5uiuhih 132 8 glycans glycan NNS cord-324395-v5uiuhih 132 9 can can MD cord-324395-v5uiuhih 132 10 be be VB cord-324395-v5uiuhih 132 11 found find VBN cord-324395-v5uiuhih 132 12 in in IN cord-324395-v5uiuhih 132 13 the the DT cord-324395-v5uiuhih 132 14 Supporting support VBG cord-324395-v5uiuhih 132 15 Information information NN cord-324395-v5uiuhih 132 16 section section NN cord-324395-v5uiuhih 132 17 ( ( -LRB- cord-324395-v5uiuhih 132 18 Additional additional JJ cord-324395-v5uiuhih 132 19 file file NN cord-324395-v5uiuhih 132 20 1 1 CD cord-324395-v5uiuhih 132 21 : : : cord-324395-v5uiuhih 132 22 Examples Examples NNPS cord-324395-v5uiuhih 132 23 S1 S1 NNP cord-324395-v5uiuhih 132 24 and and CC cord-324395-v5uiuhih 132 25 S2 S2 NNP cord-324395-v5uiuhih 132 26 ) ) -RRB- cord-324395-v5uiuhih 132 27 . . . cord-324395-v5uiuhih 133 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 133 2 is be VBZ cord-324395-v5uiuhih 133 3 a a DT cord-324395-v5uiuhih 133 4 versatile versatile JJ cord-324395-v5uiuhih 133 5 Python Python NNP cord-324395-v5uiuhih 133 6 framework framework NN cord-324395-v5uiuhih 133 7 for for IN cord-324395-v5uiuhih 133 8 manipulating manipulate VBG cord-324395-v5uiuhih 133 9 glycans glycan NNS cord-324395-v5uiuhih 133 10 and and CC cord-324395-v5uiuhih 133 11 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 133 12 that that WDT cord-324395-v5uiuhih 133 13 facilitates facilitate VBZ cord-324395-v5uiuhih 133 14 the the DT cord-324395-v5uiuhih 133 15 structural structural JJ cord-324395-v5uiuhih 133 16 study study NN cord-324395-v5uiuhih 133 17 of of IN cord-324395-v5uiuhih 133 18 glycans glycan NNS cord-324395-v5uiuhih 133 19 . . . cord-324395-v5uiuhih 134 1 It -PRON- PRP cord-324395-v5uiuhih 134 2 will will MD cord-324395-v5uiuhih 134 3 significantly significantly RB cord-324395-v5uiuhih 134 4 improve improve VB cord-324395-v5uiuhih 134 5 the the DT cord-324395-v5uiuhih 134 6 ability ability NN cord-324395-v5uiuhih 134 7 of of IN cord-324395-v5uiuhih 134 8 the the DT cord-324395-v5uiuhih 134 9 glycobiology glycobiology NN cord-324395-v5uiuhih 134 10 community community NN cord-324395-v5uiuhih 134 11 to to TO cord-324395-v5uiuhih 134 12 model model VB cord-324395-v5uiuhih 134 13 glycan glycan NN cord-324395-v5uiuhih 134 14 structure structure NN cord-324395-v5uiuhih 134 15 without without IN cord-324395-v5uiuhih 134 16 requiring require VBG cord-324395-v5uiuhih 134 17 advanced advanced JJ cord-324395-v5uiuhih 134 18 expertise expertise NN cord-324395-v5uiuhih 134 19 in in IN cord-324395-v5uiuhih 134 20 protein protein NN cord-324395-v5uiuhih 134 21 modeling modeling NN cord-324395-v5uiuhih 134 22 or or CC cord-324395-v5uiuhih 134 23 molecular molecular JJ cord-324395-v5uiuhih 134 24 dynamics dynamic NNS cord-324395-v5uiuhih 134 25 . . . cord-324395-v5uiuhih 135 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 135 2 has have VBZ cord-324395-v5uiuhih 135 3 already already RB cord-324395-v5uiuhih 135 4 been be VBN cord-324395-v5uiuhih 135 5 successfully successfully RB cord-324395-v5uiuhih 135 6 used use VBN cord-324395-v5uiuhih 135 7 for for IN cord-324395-v5uiuhih 135 8 several several JJ cord-324395-v5uiuhih 135 9 studies study NNS cord-324395-v5uiuhih 135 10 investigating investigate VBG cord-324395-v5uiuhih 135 11 the the DT cord-324395-v5uiuhih 135 12 dynamics dynamic NNS cord-324395-v5uiuhih 135 13 of of IN cord-324395-v5uiuhih 135 14 glycans glycan NNS cord-324395-v5uiuhih 135 15 over over IN cord-324395-v5uiuhih 135 16 long long JJ cord-324395-v5uiuhih 135 17 timescales timescale NNS cord-324395-v5uiuhih 135 18 ( ( -LRB- cord-324395-v5uiuhih 135 19 500 500 CD cord-324395-v5uiuhih 135 20 ns ns NN cord-324395-v5uiuhih 135 21 to to IN cord-324395-v5uiuhih 135 22 2 2 CD cord-324395-v5uiuhih 135 23 μs μs NN cord-324395-v5uiuhih 135 24 ) ) -RRB- cord-324395-v5uiuhih 136 1 [ [ -LRB- cord-324395-v5uiuhih 136 2 33 33 CD cord-324395-v5uiuhih 136 3 ] ] -RRB- cord-324395-v5uiuhih 136 4 [ [ -LRB- cord-324395-v5uiuhih 136 5 34 34 CD cord-324395-v5uiuhih 136 6 ] ] -RRB- cord-324395-v5uiuhih 136 7 [ [ -LRB- cord-324395-v5uiuhih 136 8 35 35 CD cord-324395-v5uiuhih 136 9 ] ] -RRB- cord-324395-v5uiuhih 136 10 . . . cord-324395-v5uiuhih 137 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 137 2 is be VBZ cord-324395-v5uiuhih 137 3 a a DT cord-324395-v5uiuhih 137 4 valuable valuable JJ cord-324395-v5uiuhih 137 5 asset asset NN cord-324395-v5uiuhih 137 6 for for IN cord-324395-v5uiuhih 137 7 glycoinformatics glycoinformatic NNS cord-324395-v5uiuhih 137 8 and and CC cord-324395-v5uiuhih 137 9 biomolecular biomolecular JJ cord-324395-v5uiuhih 137 10 modeling modeling NN cord-324395-v5uiuhih 137 11 communities community NNS cord-324395-v5uiuhih 137 12 . . . cord-324395-v5uiuhih 138 1 Furthermore furthermore RB cord-324395-v5uiuhih 138 2 , , , cord-324395-v5uiuhih 138 3 it -PRON- PRP cord-324395-v5uiuhih 138 4 should should MD cord-324395-v5uiuhih 138 5 be be VB cord-324395-v5uiuhih 138 6 noted note VBN cord-324395-v5uiuhih 138 7 that that IN cord-324395-v5uiuhih 138 8 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 138 9 can can MD cord-324395-v5uiuhih 138 10 also also RB cord-324395-v5uiuhih 138 11 be be VB cord-324395-v5uiuhih 138 12 used use VBN cord-324395-v5uiuhih 138 13 to to TO cord-324395-v5uiuhih 138 14 model model VB cord-324395-v5uiuhih 138 15 other other JJ cord-324395-v5uiuhih 138 16 polymers polymer NNS cord-324395-v5uiuhih 138 17 ( ( -LRB- cord-324395-v5uiuhih 138 18 D09_polymer D09_polymer NNP cord-324395-v5uiuhih 138 19 in in IN cord-324395-v5uiuhih 138 20 Github Github NNP cord-324395-v5uiuhih 138 21 ) ) -RRB- cord-324395-v5uiuhih 138 22 . . . cord-324395-v5uiuhih 139 1 Project Project NNP cord-324395-v5uiuhih 139 2 name name NN cord-324395-v5uiuhih 139 3 : : : cord-324395-v5uiuhih 139 4 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 139 5 . . . cord-324395-v5uiuhih 140 1 Project project NN cord-324395-v5uiuhih 140 2 home home NN cord-324395-v5uiuhih 140 3 page page NN cord-324395-v5uiuhih 140 4 : : : cord-324395-v5uiuhih 141 1 https://github.com/tlemmin/ https://github.com/tlemmin/ LS cord-324395-v5uiuhih 142 1 glycosylator glycosylator NNP cord-324395-v5uiuhih 142 2 Operating Operating NNP cord-324395-v5uiuhih 142 3 system(s system(s NNP cord-324395-v5uiuhih 142 4 ) ) -RRB- cord-324395-v5uiuhih 142 5 : : : cord-324395-v5uiuhih 142 6 Platform platform NN cord-324395-v5uiuhih 142 7 independent independent JJ cord-324395-v5uiuhih 142 8 . . . cord-324395-v5uiuhih 143 1 Programming programming NN cord-324395-v5uiuhih 143 2 language language NN cord-324395-v5uiuhih 143 3 : : : cord-324395-v5uiuhih 143 4 Python Python NNP cord-324395-v5uiuhih 143 5 . . . cord-324395-v5uiuhih 144 1 License license NN cord-324395-v5uiuhih 144 2 : : : cord-324395-v5uiuhih 144 3 MIT MIT NNP cord-324395-v5uiuhih 144 4 . . . cord-324395-v5uiuhih 145 1 Supplementary supplementary JJ cord-324395-v5uiuhih 145 2 information information NN cord-324395-v5uiuhih 145 3 accompanies accompany VBZ cord-324395-v5uiuhih 145 4 this this DT cord-324395-v5uiuhih 145 5 paper paper NN cord-324395-v5uiuhih 145 6 at at IN cord-324395-v5uiuhih 145 7 https://doi.org/10 https://doi.org/10 NNP cord-324395-v5uiuhih 145 8 . . . cord-324395-v5uiuhih 146 1 1186 1186 CD cord-324395-v5uiuhih 146 2 / / SYM cord-324395-v5uiuhih 146 3 s12859 s12859 CD cord-324395-v5uiuhih 146 4 - - HYPH cord-324395-v5uiuhih 146 5 019 019 CD cord-324395-v5uiuhih 146 6 - - HYPH cord-324395-v5uiuhih 146 7 3097 3097 CD cord-324395-v5uiuhih 146 8 - - SYM cord-324395-v5uiuhih 146 9 6 6 CD cord-324395-v5uiuhih 146 10 . . . cord-324395-v5uiuhih 147 1 Additional additional JJ cord-324395-v5uiuhih 147 2 file file NN cord-324395-v5uiuhih 147 3 1 1 CD cord-324395-v5uiuhih 147 4 : : : cord-324395-v5uiuhih 147 5 Figure figure NN cord-324395-v5uiuhih 147 6 S1 s1 NN cord-324395-v5uiuhih 147 7 . . . cord-324395-v5uiuhih 148 1 Architecture Architecture NNP cord-324395-v5uiuhih 148 2 of of IN cord-324395-v5uiuhih 148 3 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 148 4 , , , cord-324395-v5uiuhih 148 5 a a DT cord-324395-v5uiuhih 148 6 Python Python NNP cord-324395-v5uiuhih 148 7 framework framework NN cord-324395-v5uiuhih 148 8 for for IN cord-324395-v5uiuhih 148 9 the the DT cord-324395-v5uiuhih 148 10 rapid rapid JJ cord-324395-v5uiuhih 148 11 modeling modeling NN cord-324395-v5uiuhih 148 12 of of IN cord-324395-v5uiuhih 148 13 glycans glycan NNS cord-324395-v5uiuhih 148 14 . . . cord-324395-v5uiuhih 149 1 Each each DT cord-324395-v5uiuhih 149 2 class class NN cord-324395-v5uiuhih 149 3 is be VBZ cord-324395-v5uiuhih 149 4 represented represent VBN cord-324395-v5uiuhih 149 5 Fig Fig NNP cord-324395-v5uiuhih 149 6 . . NNP cord-324395-v5uiuhih 149 7 1 1 CD cord-324395-v5uiuhih 149 8 Identification identification NN cord-324395-v5uiuhih 149 9 , , , cord-324395-v5uiuhih 149 10 visualization visualization NN cord-324395-v5uiuhih 149 11 and and CC cord-324395-v5uiuhih 149 12 modeling modeling NN cord-324395-v5uiuhih 149 13 of of IN cord-324395-v5uiuhih 149 14 N n NN cord-324395-v5uiuhih 149 15 - - HYPH cord-324395-v5uiuhih 149 16 linked link VBN cord-324395-v5uiuhih 149 17 glycans glycan NNS cord-324395-v5uiuhih 149 18 onto onto IN cord-324395-v5uiuhih 149 19 the the DT cord-324395-v5uiuhih 149 20 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 149 21 Env Env NNP cord-324395-v5uiuhih 149 22 trimer trimer NN cord-324395-v5uiuhih 149 23 . . . cord-324395-v5uiuhih 150 1 Protein protein NN cord-324395-v5uiuhih 150 2 surface surface NN cord-324395-v5uiuhih 150 3 representation representation NN cord-324395-v5uiuhih 150 4 of of IN cord-324395-v5uiuhih 150 5 the the DT cord-324395-v5uiuhih 150 6 highmannose highmannose NNP cord-324395-v5uiuhih 150 7 glycoform glycoform NN cord-324395-v5uiuhih 150 8 of of IN cord-324395-v5uiuhih 150 9 the the DT cord-324395-v5uiuhih 150 10 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 150 11 Env Env NNP cord-324395-v5uiuhih 150 12 Trimer Trimer NNP cord-324395-v5uiuhih 150 13 ( ( -LRB- cord-324395-v5uiuhih 150 14 PDB PDB NNP cord-324395-v5uiuhih 150 15 ID ID NNP cord-324395-v5uiuhih 150 16 : : : cord-324395-v5uiuhih 150 17 5fyl 5fyl CD cord-324395-v5uiuhih 150 18 ) ) -RRB- cord-324395-v5uiuhih 150 19 . . . cord-324395-v5uiuhih 151 1 Crystallographically crystallographically RB cord-324395-v5uiuhih 151 2 - - HYPH cord-324395-v5uiuhih 151 3 determined determine VBN cord-324395-v5uiuhih 151 4 glycans glycan NNS cord-324395-v5uiuhih 151 5 are be VBP cord-324395-v5uiuhih 151 6 shown show VBN cord-324395-v5uiuhih 151 7 in in IN cord-324395-v5uiuhih 151 8 Licorice licorice NN cord-324395-v5uiuhih 151 9 representation representation NN cord-324395-v5uiuhih 151 10 . . . cord-324395-v5uiuhih 152 1 Each each DT cord-324395-v5uiuhih 152 2 subunit subunit NN cord-324395-v5uiuhih 152 3 ( ( -LRB- cord-324395-v5uiuhih 152 4 gp120 gp120 NNP cord-324395-v5uiuhih 152 5 and and CC cord-324395-v5uiuhih 152 6 gp41 gp41 NNP cord-324395-v5uiuhih 152 7 ) ) -RRB- cord-324395-v5uiuhih 152 8 is be VBZ cord-324395-v5uiuhih 152 9 represented represent VBN cord-324395-v5uiuhih 152 10 as as IN cord-324395-v5uiuhih 152 11 a a DT cord-324395-v5uiuhih 152 12 ribbon ribbon NN cord-324395-v5uiuhih 152 13 with with IN cord-324395-v5uiuhih 152 14 sequons sequon NNS cord-324395-v5uiuhih 152 15 indicated indicate VBN cord-324395-v5uiuhih 152 16 with with IN cord-324395-v5uiuhih 152 17 gray gray JJ cord-324395-v5uiuhih 152 18 squares square NNS cord-324395-v5uiuhih 152 19 and and CC cord-324395-v5uiuhih 152 20 the the DT cord-324395-v5uiuhih 152 21 N n NN cord-324395-v5uiuhih 152 22 - - HYPH cord-324395-v5uiuhih 152 23 linked link VBN cord-324395-v5uiuhih 152 24 glycans glycan NNS cord-324395-v5uiuhih 152 25 shown show VBN cord-324395-v5uiuhih 152 26 above above IN cord-324395-v5uiuhih 152 27 or or CC cord-324395-v5uiuhih 152 28 below below IN cord-324395-v5uiuhih 152 29 the the DT cord-324395-v5uiuhih 152 30 sequon sequon NN cord-324395-v5uiuhih 152 31 ( ( -LRB- cord-324395-v5uiuhih 152 32 upper upper NNP cord-324395-v5uiuhih 152 33 left left NNP cord-324395-v5uiuhih 152 34 triangular triangular JJ cord-324395-v5uiuhih 152 35 panel panel NN cord-324395-v5uiuhih 152 36 ) ) -RRB- cord-324395-v5uiuhih 152 37 . . . cord-324395-v5uiuhih 153 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 153 2 was be VBD cord-324395-v5uiuhih 153 3 used use VBN cord-324395-v5uiuhih 153 4 to to TO cord-324395-v5uiuhih 153 5 produce produce VB cord-324395-v5uiuhih 153 6 a a DT cord-324395-v5uiuhih 153 7 complex complex JJ cord-324395-v5uiuhih 153 8 glycoform glycoform NN cord-324395-v5uiuhih 153 9 variant variant NN cord-324395-v5uiuhih 153 10 of of IN cord-324395-v5uiuhih 153 11 the the DT cord-324395-v5uiuhih 153 12 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 153 13 Env Env NNP cord-324395-v5uiuhih 153 14 trimer trimer NN cord-324395-v5uiuhih 153 15 by by IN cord-324395-v5uiuhih 153 16 modeling model VBG cord-324395-v5uiuhih 153 17 glycans glycan NNS cord-324395-v5uiuhih 153 18 ab ab NN cord-324395-v5uiuhih 153 19 initio initio NNP cord-324395-v5uiuhih 153 20 or or CC cord-324395-v5uiuhih 153 21 extending extend VBG cord-324395-v5uiuhih 153 22 existing exist VBG cord-324395-v5uiuhih 153 23 glycans glycan NNS cord-324395-v5uiuhih 153 24 ( ( -LRB- cord-324395-v5uiuhih 153 25 lower low JJR cord-324395-v5uiuhih 153 26 right right JJ cord-324395-v5uiuhih 153 27 triangular triangular JJ cord-324395-v5uiuhih 153 28 panel panel NN cord-324395-v5uiuhih 153 29 ) ) -RRB- cord-324395-v5uiuhih 153 30 by by IN cord-324395-v5uiuhih 153 31 a a DT cord-324395-v5uiuhih 153 32 hexagon hexagon NN cord-324395-v5uiuhih 153 33 . . . cord-324395-v5uiuhih 154 1 Full full JJ cord-324395-v5uiuhih 154 2 circles circle NNS cord-324395-v5uiuhih 154 3 connecting connect VBG cord-324395-v5uiuhih 154 4 classes class NNS cord-324395-v5uiuhih 154 5 indicate indicate VBP cord-324395-v5uiuhih 154 6 a a DT cord-324395-v5uiuhih 154 7 class class NN cord-324395-v5uiuhih 154 8 that that WDT cord-324395-v5uiuhih 154 9 contains contain VBZ cord-324395-v5uiuhih 154 10 an an DT cord-324395-v5uiuhih 154 11 instance instance NN cord-324395-v5uiuhih 154 12 of of IN cord-324395-v5uiuhih 154 13 the the DT cord-324395-v5uiuhih 154 14 previous previous JJ cord-324395-v5uiuhih 154 15 one one CD cord-324395-v5uiuhih 154 16 as as IN cord-324395-v5uiuhih 154 17 an an DT cord-324395-v5uiuhih 154 18 attribute attribute NN cord-324395-v5uiuhih 154 19 , , , cord-324395-v5uiuhih 154 20 e.g. e.g. IN cord-324395-v5uiuhih 154 21 instances instance NNS cord-324395-v5uiuhih 154 22 of of IN cord-324395-v5uiuhih 154 23 Molecule Molecule NNP cord-324395-v5uiuhih 154 24 and and CC cord-324395-v5uiuhih 154 25 MoleculeBuilder MoleculeBuilder NNP cord-324395-v5uiuhih 154 26 are be VBP cord-324395-v5uiuhih 154 27 attributes attribute NNS cord-324395-v5uiuhih 154 28 of of IN cord-324395-v5uiuhih 154 29 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 154 30 . . . cord-324395-v5uiuhih 155 1 Several several JJ cord-324395-v5uiuhih 155 2 attributes attribute NNS cord-324395-v5uiuhih 155 3 from from IN cord-324395-v5uiuhih 155 4 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 155 5 can can MD cord-324395-v5uiuhih 155 6 be be VB cord-324395-v5uiuhih 155 7 directly directly RB cord-324395-v5uiuhih 155 8 shared share VBN cord-324395-v5uiuhih 155 9 with with IN cord-324395-v5uiuhih 155 10 Drawer Drawer NNP cord-324395-v5uiuhih 155 11 and and CC cord-324395-v5uiuhih 155 12 Sampler Sampler NNP cord-324395-v5uiuhih 155 13 ( ( -LRB- cord-324395-v5uiuhih 155 14 white white JJ cord-324395-v5uiuhih 155 15 squares square NNS cord-324395-v5uiuhih 155 16 ) ) -RRB- cord-324395-v5uiuhih 155 17 . . . cord-324395-v5uiuhih 156 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 156 2 can can MD cord-324395-v5uiuhih 156 3 parse parse VB cord-324395-v5uiuhih 156 4 a a DT cord-324395-v5uiuhih 156 5 PDB PDB NNP cord-324395-v5uiuhih 156 6 file file NN cord-324395-v5uiuhih 156 7 of of IN cord-324395-v5uiuhih 156 8 a a DT cord-324395-v5uiuhih 156 9 glycoprotein glycoprotein NN cord-324395-v5uiuhih 156 10 and and CC cord-324395-v5uiuhih 156 11 identify identify VB cord-324395-v5uiuhih 156 12 all all PDT cord-324395-v5uiuhih 156 13 the the DT cord-324395-v5uiuhih 156 14 sequons sequon NNS cord-324395-v5uiuhih 156 15 ( ( -LRB- cord-324395-v5uiuhih 156 16 orange orange NNP cord-324395-v5uiuhih 156 17 rhombus rhombus NN cord-324395-v5uiuhih 156 18 ) ) -RRB- cord-324395-v5uiuhih 156 19 . . . cord-324395-v5uiuhih 157 1 The the DT cord-324395-v5uiuhih 157 2 glycans glycan NNS cord-324395-v5uiuhih 157 3 ( ( -LRB- cord-324395-v5uiuhih 157 4 blue blue JJ cord-324395-v5uiuhih 157 5 squares square NNS cord-324395-v5uiuhih 157 6 and and CC cord-324395-v5uiuhih 157 7 green green JJ cord-324395-v5uiuhih 157 8 circles circle NNS cord-324395-v5uiuhih 157 9 ) ) -RRB- cord-324395-v5uiuhih 157 10 will will MD cord-324395-v5uiuhih 157 11 be be VB cord-324395-v5uiuhih 157 12 extracted extract VBN cord-324395-v5uiuhih 157 13 and and CC cord-324395-v5uiuhih 157 14 saved save VBN cord-324395-v5uiuhih 157 15 as as IN cord-324395-v5uiuhih 157 16 Molecule Molecule NNP cord-324395-v5uiuhih 157 17 instances instance NNS cord-324395-v5uiuhih 157 18 . . . cord-324395-v5uiuhih 158 1 Glycans glycan NNS cord-324395-v5uiuhih 158 2 at at IN cord-324395-v5uiuhih 158 3 each each DT cord-324395-v5uiuhih 158 4 sequon sequon NN cord-324395-v5uiuhih 158 5 can can MD cord-324395-v5uiuhih 158 6 then then RB cord-324395-v5uiuhih 158 7 be be VB cord-324395-v5uiuhih 158 8 built build VBN cord-324395-v5uiuhih 158 9 , , , cord-324395-v5uiuhih 158 10 modified modify VBN cord-324395-v5uiuhih 158 11 or or CC cord-324395-v5uiuhih 158 12 identified identify VBN cord-324395-v5uiuhih 158 13 . . . cord-324395-v5uiuhih 159 1 Figure figure NN cord-324395-v5uiuhih 159 2 S2 s2 NN cord-324395-v5uiuhih 159 3 . . . cord-324395-v5uiuhih 160 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 160 2 Graphical Graphical NNP cord-324395-v5uiuhih 160 3 User User NNP cord-324395-v5uiuhih 160 4 Interface Interface NNP cord-324395-v5uiuhih 160 5 . . . cord-324395-v5uiuhih 161 1 a a LS cord-324395-v5uiuhih 161 2 ) ) -RRB- cord-324395-v5uiuhih 162 1 The the DT cord-324395-v5uiuhih 162 2 main main JJ cord-324395-v5uiuhih 162 3 window window NN cord-324395-v5uiuhih 162 4 is be VBZ cord-324395-v5uiuhih 162 5 used use VBN cord-324395-v5uiuhih 162 6 to to TO cord-324395-v5uiuhih 162 7 import import VB cord-324395-v5uiuhih 162 8 a a DT cord-324395-v5uiuhih 162 9 PDB PDB NNP cord-324395-v5uiuhih 162 10 file file NN cord-324395-v5uiuhih 162 11 of of IN cord-324395-v5uiuhih 162 12 a a DT cord-324395-v5uiuhih 162 13 glycoprotein glycoprotein NN cord-324395-v5uiuhih 162 14 . . . cord-324395-v5uiuhih 163 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 163 2 will will MD cord-324395-v5uiuhih 163 3 produce produce VB cord-324395-v5uiuhih 163 4 a a DT cord-324395-v5uiuhih 163 5 symbolic symbolic JJ cord-324395-v5uiuhih 163 6 representation representation NN cord-324395-v5uiuhih 163 7 ( ( -LRB- cord-324395-v5uiuhih 163 8 orange orange NNP cord-324395-v5uiuhih 163 9 dashed dash VBD cord-324395-v5uiuhih 163 10 line line NN cord-324395-v5uiuhih 163 11 rectangle rectangle NN cord-324395-v5uiuhih 163 12 ) ) -RRB- cord-324395-v5uiuhih 163 13 . . . cord-324395-v5uiuhih 164 1 A a DT cord-324395-v5uiuhih 164 2 specific specific JJ cord-324395-v5uiuhih 164 3 sequon sequon NN cord-324395-v5uiuhih 164 4 can can MD cord-324395-v5uiuhih 164 5 be be VB cord-324395-v5uiuhih 164 6 selected select VBN cord-324395-v5uiuhih 164 7 in in IN cord-324395-v5uiuhih 164 8 the the DT cord-324395-v5uiuhih 164 9 right right JJ cord-324395-v5uiuhih 164 10 panel panel NN cord-324395-v5uiuhih 164 11 ( ( -LRB- cord-324395-v5uiuhih 164 12 purple purple JJ cord-324395-v5uiuhih 164 13 dashed dash VBD cord-324395-v5uiuhih 164 14 line line NN cord-324395-v5uiuhih 164 15 rectangle rectangle NN cord-324395-v5uiuhih 164 16 ) ) -RRB- cord-324395-v5uiuhih 164 17 . . . cord-324395-v5uiuhih 165 1 The the DT cord-324395-v5uiuhih 165 2 glycan glycan NN cord-324395-v5uiuhih 165 3 can can MD cord-324395-v5uiuhih 165 4 be be VB cord-324395-v5uiuhih 165 5 modified modify VBN cord-324395-v5uiuhih 165 6 by by IN cord-324395-v5uiuhih 165 7 clicking click VBG cord-324395-v5uiuhih 165 8 on on IN cord-324395-v5uiuhih 165 9 the the DT cord-324395-v5uiuhih 165 10 symbolic symbolic JJ cord-324395-v5uiuhih 165 11 representation representation NN cord-324395-v5uiuhih 165 12 . . . cord-324395-v5uiuhih 166 1 b b LS cord-324395-v5uiuhih 166 2 ) ) -RRB- cord-324395-v5uiuhih 167 1 The the DT cord-324395-v5uiuhih 167 2 user user NN cord-324395-v5uiuhih 167 3 can can MD cord-324395-v5uiuhih 167 4 select select VB cord-324395-v5uiuhih 167 5 a a DT cord-324395-v5uiuhih 167 6 glycan glycan NN cord-324395-v5uiuhih 167 7 from from IN cord-324395-v5uiuhih 167 8 the the DT cord-324395-v5uiuhih 167 9 common common JJ cord-324395-v5uiuhih 167 10 library library NN cord-324395-v5uiuhih 167 11 or or CC cord-324395-v5uiuhih 167 12 a a DT cord-324395-v5uiuhih 167 13 library library NN cord-324395-v5uiuhih 167 14 that that WDT cord-324395-v5uiuhih 167 15 they -PRON- PRP cord-324395-v5uiuhih 167 16 created create VBD cord-324395-v5uiuhih 167 17 . . . cord-324395-v5uiuhih 168 1 The the DT cord-324395-v5uiuhih 168 2 selected select VBN cord-324395-v5uiuhih 168 3 glycan glycan NN cord-324395-v5uiuhih 168 4 is be VBZ cord-324395-v5uiuhih 168 5 highlighted highlight VBN cord-324395-v5uiuhih 168 6 with with IN cord-324395-v5uiuhih 168 7 a a DT cord-324395-v5uiuhih 168 8 red red JJ cord-324395-v5uiuhih 168 9 square square NN cord-324395-v5uiuhih 168 10 . . . cord-324395-v5uiuhih 169 1 Example example NN cord-324395-v5uiuhih 169 2 S1 S1 NNP cord-324395-v5uiuhih 169 3 . . . cord-324395-v5uiuhih 170 1 Building build VBG cord-324395-v5uiuhih 170 2 a a DT cord-324395-v5uiuhih 170 3 glycan glycan NN cord-324395-v5uiuhih 170 4 . . . cord-324395-v5uiuhih 171 1 The the DT cord-324395-v5uiuhih 171 2 structure structure NN cord-324395-v5uiuhih 171 3 of of IN cord-324395-v5uiuhih 171 4 an an DT cord-324395-v5uiuhih 171 5 N n CD cord-324395-v5uiuhih 171 6 - - HYPH cord-324395-v5uiuhih 171 7 Acetyl Acetyl NNP cord-324395-v5uiuhih 171 8 - - HYPH cord-324395-v5uiuhih 171 9 D D NNP cord-324395-v5uiuhih 171 10 - - HYPH cord-324395-v5uiuhih 171 11 Glucosamine Glucosamine NNP cord-324395-v5uiuhih 171 12 will will MD cord-324395-v5uiuhih 171 13 be be VB cord-324395-v5uiuhih 171 14 imported import VBN cord-324395-v5uiuhih 171 15 as as IN cord-324395-v5uiuhih 171 16 a a DT cord-324395-v5uiuhih 171 17 Molecule Molecule NNP cord-324395-v5uiuhih 171 18 instance instance NN cord-324395-v5uiuhih 171 19 . . . cord-324395-v5uiuhih 172 1 All all DT cord-324395-v5uiuhih 172 2 missing miss VBG cord-324395-v5uiuhih 172 3 atoms atom NNS cord-324395-v5uiuhih 172 4 will will MD cord-324395-v5uiuhih 172 5 be be VB cord-324395-v5uiuhih 172 6 added add VBN cord-324395-v5uiuhih 172 7 according accord VBG cord-324395-v5uiuhih 172 8 to to IN cord-324395-v5uiuhih 172 9 the the DT cord-324395-v5uiuhih 172 10 CHARMM CHARMM NNP cord-324395-v5uiuhih 172 11 force force NN cord-324395-v5uiuhih 172 12 field field NN cord-324395-v5uiuhih 172 13 . . . cord-324395-v5uiuhih 173 1 A a DT cord-324395-v5uiuhih 173 2 second second JJ cord-324395-v5uiuhih 173 3 N N NNP cord-324395-v5uiuhih 173 4 - - HYPH cord-324395-v5uiuhih 173 5 Acetyl Acetyl NNP cord-324395-v5uiuhih 173 6 - - HYPH cord-324395-v5uiuhih 173 7 D D NNP cord-324395-v5uiuhih 173 8 - - HYPH cord-324395-v5uiuhih 173 9 Glucosamine Glucosamine NNP cord-324395-v5uiuhih 173 10 will will MD cord-324395-v5uiuhih 173 11 then then RB cord-324395-v5uiuhih 173 12 be be VB cord-324395-v5uiuhih 173 13 linked link VBN cord-324395-v5uiuhih 173 14 through through IN cord-324395-v5uiuhih 173 15 a a DT cord-324395-v5uiuhih 173 16 1 1 CD cord-324395-v5uiuhih 173 17 - - SYM cord-324395-v5uiuhih 173 18 4 4 CD cord-324395-v5uiuhih 173 19 glycosidic glycosidic JJ cord-324395-v5uiuhih 173 20 bond bond NN cord-324395-v5uiuhih 173 21 . . . cord-324395-v5uiuhih 174 1 Finally finally RB cord-324395-v5uiuhih 174 2 , , , cord-324395-v5uiuhih 174 3 an an DT cord-324395-v5uiuhih 174 4 Alpha alpha NN cord-324395-v5uiuhih 174 5 - - HYPH cord-324395-v5uiuhih 174 6 D d NN cord-324395-v5uiuhih 174 7 - - HYPH cord-324395-v5uiuhih 174 8 added add VBN cord-324395-v5uiuhih 174 9 according accord VBG cord-324395-v5uiuhih 174 10 to to IN cord-324395-v5uiuhih 174 11 the the DT cord-324395-v5uiuhih 174 12 CHARMM CHARMM NNP cord-324395-v5uiuhih 174 13 force force NN cord-324395-v5uiuhih 174 14 field field NN cord-324395-v5uiuhih 174 15 . . . cord-324395-v5uiuhih 175 1 A a DT cord-324395-v5uiuhih 175 2 second second JJ cord-324395-v5uiuhih 175 3 N N NNP cord-324395-v5uiuhih 175 4 - - HYPH cord-324395-v5uiuhih 175 5 Acetyl Acetyl NNP cord-324395-v5uiuhih 175 6 - - HYPH cord-324395-v5uiuhih 175 7 D D NNP cord-324395-v5uiuhih 175 8 - - HYPH cord-324395-v5uiuhih 175 9 Glucosamine Glucosamine NNP cord-324395-v5uiuhih 175 10 will will MD cord-324395-v5uiuhih 175 11 then then RB cord-324395-v5uiuhih 175 12 be be VB cord-324395-v5uiuhih 175 13 linked link VBN cord-324395-v5uiuhih 175 14 through through IN cord-324395-v5uiuhih 175 15 a a DT cord-324395-v5uiuhih 175 16 1 1 CD cord-324395-v5uiuhih 175 17 - - SYM cord-324395-v5uiuhih 175 18 4 4 CD cord-324395-v5uiuhih 175 19 glycosidic glycosidic JJ cord-324395-v5uiuhih 175 20 bond bond NN cord-324395-v5uiuhih 175 21 . . . cord-324395-v5uiuhih 176 1 Finally finally RB cord-324395-v5uiuhih 176 2 , , , cord-324395-v5uiuhih 176 3 an an DT cord-324395-v5uiuhih 176 4 Alpha alpha NN cord-324395-v5uiuhih 176 5 - - HYPH cord-324395-v5uiuhih 176 6 D D NNP cord-324395-v5uiuhih 176 7 - - HYPH cord-324395-v5uiuhih 176 8 Mannosewill Mannosewill NNP cord-324395-v5uiuhih 176 9 be be VB cord-324395-v5uiuhih 176 10 built build VBN cord-324395-v5uiuhih 176 11 ab ab FW cord-324395-v5uiuhih 176 12 initio initio NNP cord-324395-v5uiuhih 176 13 and and CC cord-324395-v5uiuhih 176 14 saved save VBN cord-324395-v5uiuhih 176 15 to to IN cord-324395-v5uiuhih 176 16 a a DT cord-324395-v5uiuhih 176 17 PDB PDB NNP cord-324395-v5uiuhih 176 18 file file NN cord-324395-v5uiuhih 176 19 . . . cord-324395-v5uiuhih 177 1 Example example NN cord-324395-v5uiuhih 177 2 S2 S2 NNP cord-324395-v5uiuhih 177 3 . . . cord-324395-v5uiuhih 178 1 Importing import VBG cord-324395-v5uiuhih 178 2 , , , cord-324395-v5uiuhih 178 3 identifying identify VBG cord-324395-v5uiuhih 178 4 and and CC cord-324395-v5uiuhih 178 5 editing editing NN cord-324395-v5uiuhih 178 6 of of IN cord-324395-v5uiuhih 178 7 a a DT cord-324395-v5uiuhih 178 8 glycan glycan NN cord-324395-v5uiuhih 178 9 . . . cord-324395-v5uiuhih 179 1 The the DT cord-324395-v5uiuhih 179 2 structure structure NN cord-324395-v5uiuhih 179 3 of of IN cord-324395-v5uiuhih 179 4 a a DT cord-324395-v5uiuhih 179 5 mannose mannose NN cord-324395-v5uiuhih 179 6 9 9 CD cord-324395-v5uiuhih 179 7 will will MD cord-324395-v5uiuhih 179 8 be be VB cord-324395-v5uiuhih 179 9 imported import VBN cord-324395-v5uiuhih 179 10 as as IN cord-324395-v5uiuhih 179 11 a a DT cord-324395-v5uiuhih 179 12 Molecule Molecule NNP cord-324395-v5uiuhih 179 13 instance instance NN cord-324395-v5uiuhih 179 14 . . . cord-324395-v5uiuhih 180 1 A a DT cord-324395-v5uiuhih 180 2 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 180 3 instance instance NN cord-324395-v5uiuhih 180 4 will will MD cord-324395-v5uiuhih 180 5 then then RB cord-324395-v5uiuhih 180 6 identify identify VB cord-324395-v5uiuhih 180 7 it -PRON- PRP cord-324395-v5uiuhih 180 8 against against IN cord-324395-v5uiuhih 180 9 a a DT cord-324395-v5uiuhih 180 10 database database NN cord-324395-v5uiuhih 180 11 of of IN cord-324395-v5uiuhih 180 12 known know VBN cord-324395-v5uiuhih 180 13 structures structure NNS cord-324395-v5uiuhih 180 14 . . . cord-324395-v5uiuhih 181 1 Finally finally RB cord-324395-v5uiuhih 181 2 , , , cord-324395-v5uiuhih 181 3 the the DT cord-324395-v5uiuhih 181 4 Molecule Molecule NNP cord-324395-v5uiuhih 181 5 will will MD cord-324395-v5uiuhih 181 6 be be VB cord-324395-v5uiuhih 181 7 trimmed trim VBN cord-324395-v5uiuhih 181 8 down down RP cord-324395-v5uiuhih 181 9 to to IN cord-324395-v5uiuhih 181 10 a a DT cord-324395-v5uiuhih 181 11 mannose mannose NN cord-324395-v5uiuhih 181 12 6 6 CD cord-324395-v5uiuhih 181 13 . . . cord-324395-v5uiuhih 181 14 _SP cord-324395-v5uiuhih 182 1 On on IN cord-324395-v5uiuhih 182 2 the the DT cord-324395-v5uiuhih 182 3 frequency frequency NN cord-324395-v5uiuhih 182 4 of of IN cord-324395-v5uiuhih 182 5 protein protein NN cord-324395-v5uiuhih 182 6 glycosylation glycosylation NN cord-324395-v5uiuhih 182 7 , , , cord-324395-v5uiuhih 182 8 as as IN cord-324395-v5uiuhih 182 9 deduced deduce VBN cord-324395-v5uiuhih 182 10 from from IN cord-324395-v5uiuhih 182 11 analysis analysis NN cord-324395-v5uiuhih 182 12 of of IN cord-324395-v5uiuhih 182 13 the the DT cord-324395-v5uiuhih 182 14 SWISS swiss JJ cord-324395-v5uiuhih 182 15 - - HYPH cord-324395-v5uiuhih 182 16 PROT prot NN cord-324395-v5uiuhih 182 17 database database NN cord-324395-v5uiuhih 182 18 Unraveling unravel VBG cord-324395-v5uiuhih 182 19 the the DT cord-324395-v5uiuhih 182 20 mechanism mechanism NN cord-324395-v5uiuhih 182 21 of of IN cord-324395-v5uiuhih 182 22 protein protein NN cord-324395-v5uiuhih 182 23 N n CD cord-324395-v5uiuhih 182 24 - - HYPH cord-324395-v5uiuhih 182 25 glycosylation glycosylation NN cord-324395-v5uiuhih 182 26 Protein protein NN cord-324395-v5uiuhih 182 27 glycosylation glycosylation NN cord-324395-v5uiuhih 182 28 : : : cord-324395-v5uiuhih 182 29 nature nature NN cord-324395-v5uiuhih 182 30 , , , cord-324395-v5uiuhih 182 31 distribution distribution NN cord-324395-v5uiuhih 182 32 , , , cord-324395-v5uiuhih 182 33 enzymatic enzymatic JJ cord-324395-v5uiuhih 182 34 formation formation NN cord-324395-v5uiuhih 182 35 , , , cord-324395-v5uiuhih 182 36 and and CC cord-324395-v5uiuhih 182 37 disease disease NN cord-324395-v5uiuhih 182 38 implications implication NNS cord-324395-v5uiuhih 182 39 of of IN cord-324395-v5uiuhih 182 40 glycopeptides glycopeptides NNP cord-324395-v5uiuhih 182 41 bonds bond NNS cord-324395-v5uiuhih 182 42 Sequence sequence NN cord-324395-v5uiuhih 182 43 differences difference NNS cord-324395-v5uiuhih 182 44 between between IN cord-324395-v5uiuhih 182 45 glycosylated glycosylated JJ cord-324395-v5uiuhih 182 46 and and CC cord-324395-v5uiuhih 182 47 non non JJ cord-324395-v5uiuhih 182 48 - - JJ cord-324395-v5uiuhih 182 49 glycosylated glycosylated JJ cord-324395-v5uiuhih 182 50 Asn Asn NNP cord-324395-v5uiuhih 182 51 - - HYPH cord-324395-v5uiuhih 182 52 X X NNP cord-324395-v5uiuhih 182 53 - - HYPH cord-324395-v5uiuhih 182 54 Thr Thr NNP cord-324395-v5uiuhih 182 55 / / SYM cord-324395-v5uiuhih 182 56 Ser ser JJ cord-324395-v5uiuhih 182 57 acceptor acceptor NN cord-324395-v5uiuhih 182 58 sites site NNS cord-324395-v5uiuhih 182 59 : : : cord-324395-v5uiuhih 182 60 implications implication NNS cord-324395-v5uiuhih 182 61 for for IN cord-324395-v5uiuhih 182 62 protein protein NN cord-324395-v5uiuhih 182 63 engineering engineering NN cord-324395-v5uiuhih 182 64 Glycosylation Glycosylation NNP cord-324395-v5uiuhih 182 65 - - HYPH cord-324395-v5uiuhih 182 66 directed direct VBN cord-324395-v5uiuhih 182 67 quality quality NN cord-324395-v5uiuhih 182 68 control control NN cord-324395-v5uiuhih 182 69 of of IN cord-324395-v5uiuhih 182 70 protein protein NN cord-324395-v5uiuhih 182 71 folding folding NN cord-324395-v5uiuhih 182 72 Glycosylation Glycosylation NNP cord-324395-v5uiuhih 182 73 as as IN cord-324395-v5uiuhih 182 74 a a DT cord-324395-v5uiuhih 182 75 main main JJ cord-324395-v5uiuhih 182 76 regulator regulator NN cord-324395-v5uiuhih 182 77 of of IN cord-324395-v5uiuhih 182 78 growth growth NN cord-324395-v5uiuhih 182 79 and and CC cord-324395-v5uiuhih 182 80 death death NN cord-324395-v5uiuhih 182 81 factor factor NN cord-324395-v5uiuhih 182 82 receptors receptor NNS cord-324395-v5uiuhih 182 83 signaling signal VBG cord-324395-v5uiuhih 182 84 Cell cell NN cord-324395-v5uiuhih 182 85 migration migration NN cord-324395-v5uiuhih 182 86 - - : cord-324395-v5uiuhih 182 87 the the DT cord-324395-v5uiuhih 182 88 role role NN cord-324395-v5uiuhih 182 89 of of IN cord-324395-v5uiuhih 182 90 integrin integrin JJ cord-324395-v5uiuhih 182 91 glycosylation glycosylation NN cord-324395-v5uiuhih 182 92 Similarities similarity NNS cord-324395-v5uiuhih 182 93 and and CC cord-324395-v5uiuhih 182 94 differences difference NNS cord-324395-v5uiuhih 182 95 in in IN cord-324395-v5uiuhih 182 96 the the DT cord-324395-v5uiuhih 182 97 glycosylation glycosylation NN cord-324395-v5uiuhih 182 98 mechanisms mechanism NNS cord-324395-v5uiuhih 182 99 in in IN cord-324395-v5uiuhih 182 100 prokaryotes prokaryote NNS cord-324395-v5uiuhih 182 101 and and CC cord-324395-v5uiuhih 182 102 eukaryotes eukaryote NNS cord-324395-v5uiuhih 182 103 Insights insight NNS cord-324395-v5uiuhih 182 104 into into IN cord-324395-v5uiuhih 182 105 bacterial bacterial JJ cord-324395-v5uiuhih 182 106 protein protein NN cord-324395-v5uiuhih 182 107 glycosylation glycosylation NN cord-324395-v5uiuhih 182 108 in in IN cord-324395-v5uiuhih 182 109 human human JJ cord-324395-v5uiuhih 182 110 microbiota microbiota NN cord-324395-v5uiuhih 182 111 Playing play VBG cord-324395-v5uiuhih 182 112 hide hide VB cord-324395-v5uiuhih 182 113 and and CC cord-324395-v5uiuhih 182 114 seek seek VB cord-324395-v5uiuhih 182 115 : : : cord-324395-v5uiuhih 182 116 how how WRB cord-324395-v5uiuhih 182 117 glycosylation glycosylation NN cord-324395-v5uiuhih 182 118 of of IN cord-324395-v5uiuhih 182 119 the the DT cord-324395-v5uiuhih 182 120 influenza influenza NN cord-324395-v5uiuhih 182 121 virus virus NN cord-324395-v5uiuhih 182 122 hemagglutinin hemagglutinin NNS cord-324395-v5uiuhih 182 123 can can MD cord-324395-v5uiuhih 182 124 modulate modulate VB cord-324395-v5uiuhih 182 125 the the DT cord-324395-v5uiuhih 182 126 immune immune JJ cord-324395-v5uiuhih 182 127 response response NN cord-324395-v5uiuhih 182 128 to to IN cord-324395-v5uiuhih 182 129 infection infection NN cord-324395-v5uiuhih 182 130 Virus virus NN cord-324395-v5uiuhih 182 131 glycosylation glycosylation NN cord-324395-v5uiuhih 182 132 : : : cord-324395-v5uiuhih 182 133 role role NN cord-324395-v5uiuhih 182 134 in in IN cord-324395-v5uiuhih 182 135 virulence virulence NN cord-324395-v5uiuhih 182 136 and and CC cord-324395-v5uiuhih 182 137 immune immune JJ cord-324395-v5uiuhih 182 138 interactions interaction NNS cord-324395-v5uiuhih 182 139 Implementation implementation NN cord-324395-v5uiuhih 182 140 of of IN cord-324395-v5uiuhih 182 141 GlycanBuilder GlycanBuilder NNP cord-324395-v5uiuhih 182 142 to to TO cord-324395-v5uiuhih 182 143 draw draw VB cord-324395-v5uiuhih 182 144 a a DT cord-324395-v5uiuhih 182 145 wide wide JJ cord-324395-v5uiuhih 182 146 variety variety NN cord-324395-v5uiuhih 182 147 of of IN cord-324395-v5uiuhih 182 148 ambiguous ambiguous JJ cord-324395-v5uiuhih 182 149 glycans glycan NNS cord-324395-v5uiuhih 182 150 A a DT cord-324395-v5uiuhih 182 151 molecular molecular JJ cord-324395-v5uiuhih 182 152 builder builder NN cord-324395-v5uiuhih 182 153 for for IN cord-324395-v5uiuhih 182 154 carbohydrates carbohydrate NNS cord-324395-v5uiuhih 182 155 : : : cord-324395-v5uiuhih 182 156 application application NN cord-324395-v5uiuhih 182 157 to to IN cord-324395-v5uiuhih 182 158 polysaccharides polysaccharide NNS cord-324395-v5uiuhih 182 159 and and CC cord-324395-v5uiuhih 182 160 complex complex JJ cord-324395-v5uiuhih 182 161 carbohydrates carbohydrate NNS cord-324395-v5uiuhih 182 162 doGlycans doglycan NNS cord-324395-v5uiuhih 182 163 - - HYPH cord-324395-v5uiuhih 182 164 tools tool NNS cord-324395-v5uiuhih 182 165 for for IN cord-324395-v5uiuhih 182 166 preparing prepare VBG cord-324395-v5uiuhih 182 167 carbohydrate carbohydrate NN cord-324395-v5uiuhih 182 168 structures structure NNS cord-324395-v5uiuhih 182 169 for for IN cord-324395-v5uiuhih 182 170 atomistic atomistic JJ cord-324395-v5uiuhih 182 171 simulations simulation NNS cord-324395-v5uiuhih 182 172 of of IN cord-324395-v5uiuhih 182 173 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 182 174 , , , cord-324395-v5uiuhih 182 175 glycolipids glycolipid NNS cord-324395-v5uiuhih 182 176 , , , cord-324395-v5uiuhih 182 177 and and CC cord-324395-v5uiuhih 182 178 carbohydrate carbohydrate NN cord-324395-v5uiuhih 182 179 polymers polymer NNS cord-324395-v5uiuhih 182 180 for for IN cord-324395-v5uiuhih 182 181 GROMACS GROMACS NNP cord-324395-v5uiuhih 182 182 SWEET SWEET NNP cord-324395-v5uiuhih 182 183 -WWW -www RBS cord-324395-v5uiuhih 182 184 - - HYPH cord-324395-v5uiuhih 182 185 based base VBN cord-324395-v5uiuhih 182 186 rapid rapid JJ cord-324395-v5uiuhih 182 187 3D 3D NNP cord-324395-v5uiuhih 182 188 construction construction NN cord-324395-v5uiuhih 182 189 of of IN cord-324395-v5uiuhih 182 190 oligo oligo NN cord-324395-v5uiuhih 182 191 - - : cord-324395-v5uiuhih 182 192 and and CC cord-324395-v5uiuhih 182 193 polysaccharides polysaccharide NNS cord-324395-v5uiuhih 183 1 GLYCAM GLYCAM NNP cord-324395-v5uiuhih 183 2 Glycan Glycan NNP cord-324395-v5uiuhih 183 3 reader reader NN cord-324395-v5uiuhih 183 4 : : : cord-324395-v5uiuhih 183 5 automated automate VBN cord-324395-v5uiuhih 183 6 sugar sugar NN cord-324395-v5uiuhih 183 7 identification identification NN cord-324395-v5uiuhih 183 8 and and CC cord-324395-v5uiuhih 183 9 simulation simulation NN cord-324395-v5uiuhih 183 10 preparation preparation NN cord-324395-v5uiuhih 183 11 for for IN cord-324395-v5uiuhih 183 12 carbohydrates carbohydrate NNS cord-324395-v5uiuhih 183 13 and and CC cord-324395-v5uiuhih 183 14 glycoproteins glycoprotein NNS cord-324395-v5uiuhih 183 15 Glycan glycan JJ cord-324395-v5uiuhih 183 16 reader reader NN cord-324395-v5uiuhih 183 17 is be VBZ cord-324395-v5uiuhih 183 18 improved improve VBN cord-324395-v5uiuhih 183 19 to to TO cord-324395-v5uiuhih 183 20 recognize recognize VB cord-324395-v5uiuhih 183 21 most most JJS cord-324395-v5uiuhih 183 22 sugar sugar NN cord-324395-v5uiuhih 183 23 types type NNS cord-324395-v5uiuhih 183 24 and and CC cord-324395-v5uiuhih 183 25 chemical chemical NN cord-324395-v5uiuhih 183 26 modifications modification NNS cord-324395-v5uiuhih 183 27 in in IN cord-324395-v5uiuhih 183 28 the the DT cord-324395-v5uiuhih 183 29 protein protein NN cord-324395-v5uiuhih 183 30 data datum NNS cord-324395-v5uiuhih 183 31 Bank Bank NNP cord-324395-v5uiuhih 183 32 CHARMM CHARMM NNP cord-324395-v5uiuhih 183 33 - - HYPH cord-324395-v5uiuhih 183 34 GUI GUI NNP cord-324395-v5uiuhih 183 35 glycan glycan NN cord-324395-v5uiuhih 183 36 modeler modeler NN cord-324395-v5uiuhih 183 37 for for IN cord-324395-v5uiuhih 183 38 modeling modeling NN cord-324395-v5uiuhih 183 39 and and CC cord-324395-v5uiuhih 183 40 simulation simulation NN cord-324395-v5uiuhih 183 41 of of IN cord-324395-v5uiuhih 183 42 carbohydrates carbohydrate NNS cord-324395-v5uiuhih 183 43 and and CC cord-324395-v5uiuhih 183 44 glycoconjugates glycoconjugate NNS cord-324395-v5uiuhih 183 45 DB DB NNP cord-324395-v5uiuhih 183 46 : : : cord-324395-v5uiuhih 183 47 an an DT cord-324395-v5uiuhih 183 48 annotated annotated JJ cord-324395-v5uiuhih 183 49 data data NN cord-324395-v5uiuhih 183 50 collection collection NN cord-324395-v5uiuhih 183 51 linking link VBG cord-324395-v5uiuhih 183 52 glycomics glycomic NNS cord-324395-v5uiuhih 183 53 and and CC cord-324395-v5uiuhih 183 54 proteomics proteomic NNS cord-324395-v5uiuhih 183 55 data datum NNS cord-324395-v5uiuhih 183 56 GLYCAM06 GLYCAM06 NNP cord-324395-v5uiuhih 183 57 : : : cord-324395-v5uiuhih 184 1 A a DT cord-324395-v5uiuhih 184 2 generalizable generalizable JJ cord-324395-v5uiuhih 184 3 biomolecular biomolecular JJ cord-324395-v5uiuhih 184 4 force force NN cord-324395-v5uiuhih 184 5 field field NN cord-324395-v5uiuhih 184 6 . . . cord-324395-v5uiuhih 185 1 Carbohydrates carbohydrate NNS cord-324395-v5uiuhih 185 2 CHARMM CHARMM NNP cord-324395-v5uiuhih 185 3 additive additive NN cord-324395-v5uiuhih 185 4 all all DT cord-324395-v5uiuhih 185 5 - - HYPH cord-324395-v5uiuhih 185 6 atom atom NN cord-324395-v5uiuhih 185 7 force force NN cord-324395-v5uiuhih 185 8 field field NN cord-324395-v5uiuhih 185 9 for for IN cord-324395-v5uiuhih 185 10 carbohydrate carbohydrate NN cord-324395-v5uiuhih 185 11 derivatives derivative NNS cord-324395-v5uiuhih 185 12 and and CC cord-324395-v5uiuhih 185 13 its -PRON- PRP$ cord-324395-v5uiuhih 185 14 utility utility NN cord-324395-v5uiuhih 185 15 in in IN cord-324395-v5uiuhih 185 16 polysaccharide polysaccharide NN cord-324395-v5uiuhih 185 17 and and CC cord-324395-v5uiuhih 185 18 carbohydrate carbohydrate NN cord-324395-v5uiuhih 185 19 - - HYPH cord-324395-v5uiuhih 185 20 protein protein NN cord-324395-v5uiuhih 186 1 modeling model VBG cord-324395-v5uiuhih 186 2 CHARMM CHARMM NNP cord-324395-v5uiuhih 186 3 - - HYPH cord-324395-v5uiuhih 186 4 GUI GUI NNP cord-324395-v5uiuhih 186 5 : : : cord-324395-v5uiuhih 186 6 a a DT cord-324395-v5uiuhih 186 7 web web NN cord-324395-v5uiuhih 186 8 - - HYPH cord-324395-v5uiuhih 186 9 based base VBN cord-324395-v5uiuhih 186 10 graphical graphical JJ cord-324395-v5uiuhih 186 11 user user NN cord-324395-v5uiuhih 186 12 interface interface NN cord-324395-v5uiuhih 186 13 for for IN cord-324395-v5uiuhih 186 14 CHARMM CHARMM NNP cord-324395-v5uiuhih 186 15 CHARMM CHARMM NNP cord-324395-v5uiuhih 186 16 - - HYPH cord-324395-v5uiuhih 186 17 GUI GUI NNP cord-324395-v5uiuhih 186 18 membrane membrane NN cord-324395-v5uiuhih 186 19 builder builder NN cord-324395-v5uiuhih 186 20 for for IN cord-324395-v5uiuhih 186 21 complex complex JJ cord-324395-v5uiuhih 186 22 biological biological JJ cord-324395-v5uiuhih 186 23 membrane membrane NN cord-324395-v5uiuhih 186 24 simulations simulation NNS cord-324395-v5uiuhih 186 25 with with IN cord-324395-v5uiuhih 186 26 glycolipids glycolipid NNS cord-324395-v5uiuhih 186 27 and and CC cord-324395-v5uiuhih 186 28 lipoglycans lipoglycan NNS cord-324395-v5uiuhih 186 29 Prody Prody NNP cord-324395-v5uiuhih 186 30 : : : cord-324395-v5uiuhih 186 31 protein protein NN cord-324395-v5uiuhih 186 32 dynamics dynamic NNS cord-324395-v5uiuhih 186 33 inferred infer VBN cord-324395-v5uiuhih 186 34 from from IN cord-324395-v5uiuhih 186 35 theory theory NN cord-324395-v5uiuhih 186 36 and and CC cord-324395-v5uiuhih 186 37 experiments experiment NNS cord-324395-v5uiuhih 186 38 Exploring explore VBG cord-324395-v5uiuhih 186 39 network network NN cord-324395-v5uiuhih 186 40 structure structure NN cord-324395-v5uiuhih 186 41 , , , cord-324395-v5uiuhih 186 42 dynamics dynamic NNS cord-324395-v5uiuhih 186 43 , , , cord-324395-v5uiuhih 186 44 and and CC cord-324395-v5uiuhih 186 45 function function VB cord-324395-v5uiuhih 186 46 using use VBG cord-324395-v5uiuhih 186 47 NetworkX NetworkX NNP cord-324395-v5uiuhih 186 48 Matplotlib Matplotlib NNP cord-324395-v5uiuhih 186 49 : : : cord-324395-v5uiuhih 186 50 a a DT cord-324395-v5uiuhih 186 51 2D 2D NNP cord-324395-v5uiuhih 186 52 graphics graphic NNS cord-324395-v5uiuhih 186 53 environment environment NN cord-324395-v5uiuhih 187 1 A a DT cord-324395-v5uiuhih 187 2 bioinformatics bioinformatics NN cord-324395-v5uiuhih 187 3 view view NN cord-324395-v5uiuhih 187 4 of of IN cord-324395-v5uiuhih 187 5 glycan glycan NN cord-324395-v5uiuhih 187 6 - - HYPH cord-324395-v5uiuhih 187 7 virus virus NN cord-324395-v5uiuhih 187 8 interactions interaction NNS cord-324395-v5uiuhih 187 9 Comprehensive Comprehensive NNP cord-324395-v5uiuhih 187 10 Glycoscience Glycoscience NNP cord-324395-v5uiuhih 187 11 ( ( -LRB- cord-324395-v5uiuhih 187 12 From from IN cord-324395-v5uiuhih 187 13 Chemistry Chemistry NNP cord-324395-v5uiuhih 187 14 to to IN cord-324395-v5uiuhih 187 15 Systems Systems NNP cord-324395-v5uiuhih 187 16 Biology Biology NNP cord-324395-v5uiuhih 187 17 ) ) -RRB- cord-324395-v5uiuhih 188 1 VMD VMD NNP cord-324395-v5uiuhih 188 2 : : : cord-324395-v5uiuhih 188 3 visual visual JJ cord-324395-v5uiuhih 188 4 molecular molecular JJ cord-324395-v5uiuhih 188 5 dynamics dynamic NNS cord-324395-v5uiuhih 188 6 Scalable scalable JJ cord-324395-v5uiuhih 188 7 molecular molecular JJ cord-324395-v5uiuhih 188 8 dynamics dynamic NNS cord-324395-v5uiuhih 188 9 with with IN cord-324395-v5uiuhih 188 10 NAMD NAMD NNP cord-324395-v5uiuhih 188 11 pdb pdb NN cord-324395-v5uiuhih 188 12 - - HYPH cord-324395-v5uiuhih 188 13 care care NN cord-324395-v5uiuhih 188 14 ( ( -LRB- cord-324395-v5uiuhih 188 15 PDB PDB NNP cord-324395-v5uiuhih 188 16 CArbohydrate CArbohydrate NNP cord-324395-v5uiuhih 188 17 REsidue REsidue NNP cord-324395-v5uiuhih 188 18 check check NN cord-324395-v5uiuhih 188 19 ) ) -RRB- cord-324395-v5uiuhih 188 20 : : : cord-324395-v5uiuhih 189 1 A a DT cord-324395-v5uiuhih 189 2 program program NN cord-324395-v5uiuhih 189 3 to to TO cord-324395-v5uiuhih 189 4 support support VB cord-324395-v5uiuhih 189 5 annotation annotation NN cord-324395-v5uiuhih 189 6 of of IN cord-324395-v5uiuhih 189 7 complex complex JJ cord-324395-v5uiuhih 189 8 carbohydrate carbohydrate NN cord-324395-v5uiuhih 189 9 structures structure NNS cord-324395-v5uiuhih 189 10 in in IN cord-324395-v5uiuhih 189 11 PDB PDB NNP cord-324395-v5uiuhih 189 12 files file VBZ cord-324395-v5uiuhih 189 13 Trimeric Trimeric NNP cord-324395-v5uiuhih 189 14 HIV-1-Env HIV-1-Env NNP cord-324395-v5uiuhih 189 15 structures structure NNS cord-324395-v5uiuhih 189 16 define define VBP cord-324395-v5uiuhih 189 17 glycan glycan NN cord-324395-v5uiuhih 189 18 shields shield NNS cord-324395-v5uiuhih 189 19 from from IN cord-324395-v5uiuhih 189 20 clades clade NNS cord-324395-v5uiuhih 189 21 a a DT cord-324395-v5uiuhih 189 22 , , , cord-324395-v5uiuhih 189 23 B b NN cord-324395-v5uiuhih 189 24 , , , cord-324395-v5uiuhih 189 25 and and CC cord-324395-v5uiuhih 189 26 G G NNP cord-324395-v5uiuhih 189 27 Insights Insights NNPS cord-324395-v5uiuhih 189 28 from from IN cord-324395-v5uiuhih 189 29 NMR NMR NNP cord-324395-v5uiuhih 189 30 spectroscopy spectroscopy NN cord-324395-v5uiuhih 189 31 into into IN cord-324395-v5uiuhih 189 32 the the DT cord-324395-v5uiuhih 189 33 conformational conformational JJ cord-324395-v5uiuhih 189 34 properties property NNS cord-324395-v5uiuhih 189 35 of of IN cord-324395-v5uiuhih 189 36 Man-9 Man-9 NNP cord-324395-v5uiuhih 189 37 and and CC cord-324395-v5uiuhih 189 38 its -PRON- PRP$ cord-324395-v5uiuhih 189 39 recognition recognition NN cord-324395-v5uiuhih 189 40 by by IN cord-324395-v5uiuhih 189 41 two two CD cord-324395-v5uiuhih 189 42 HIV HIV NNP cord-324395-v5uiuhih 189 43 binding bind VBG cord-324395-v5uiuhih 189 44 proteins protein NNS cord-324395-v5uiuhih 189 45 Microsecond microsecond VBP cord-324395-v5uiuhih 189 46 dynamics dynamic NNS cord-324395-v5uiuhih 189 47 and and CC cord-324395-v5uiuhih 189 48 network network NN cord-324395-v5uiuhih 189 49 analysis analysis NN cord-324395-v5uiuhih 189 50 of of IN cord-324395-v5uiuhih 189 51 the the DT cord-324395-v5uiuhih 189 52 HIV-1 HIV-1 NNP cord-324395-v5uiuhih 189 53 SOSIP SOSIP NNP cord-324395-v5uiuhih 189 54 Env Env NNP cord-324395-v5uiuhih 189 55 trimer trimer NN cord-324395-v5uiuhih 189 56 reveal reveal VBP cord-324395-v5uiuhih 189 57 collective collective JJ cord-324395-v5uiuhih 189 58 behavior behavior NN cord-324395-v5uiuhih 189 59 and and CC cord-324395-v5uiuhih 189 60 conserved conserve VBN cord-324395-v5uiuhih 189 61 microdomains microdomain NNS cord-324395-v5uiuhih 189 62 of of IN cord-324395-v5uiuhih 189 63 the the DT cord-324395-v5uiuhih 189 64 glycan glycan NN cord-324395-v5uiuhih 189 65 shield shield NN cord-324395-v5uiuhih 190 1 Publisher publisher NN cord-324395-v5uiuhih 190 2 's 's POS cord-324395-v5uiuhih 190 3 Note Note NNP cord-324395-v5uiuhih 190 4 Springer Springer NNP cord-324395-v5uiuhih 190 5 Nature Nature NNP cord-324395-v5uiuhih 190 6 remains remain VBZ cord-324395-v5uiuhih 190 7 neutral neutral JJ cord-324395-v5uiuhih 190 8 with with IN cord-324395-v5uiuhih 190 9 regard regard NN cord-324395-v5uiuhih 190 10 to to IN cord-324395-v5uiuhih 190 11 jurisdictional jurisdictional JJ cord-324395-v5uiuhih 190 12 claims claim NNS cord-324395-v5uiuhih 190 13 in in IN cord-324395-v5uiuhih 190 14 published publish VBN cord-324395-v5uiuhih 190 15 maps map NNS cord-324395-v5uiuhih 190 16 and and CC cord-324395-v5uiuhih 190 17 institutional institutional JJ cord-324395-v5uiuhih 190 18 affiliations affiliation NNS cord-324395-v5uiuhih 191 1 We -PRON- PRP cord-324395-v5uiuhih 191 2 would would MD cord-324395-v5uiuhih 191 3 like like VB cord-324395-v5uiuhih 191 4 to to TO cord-324395-v5uiuhih 191 5 thank thank VB cord-324395-v5uiuhih 191 6 Dr. Dr. NNP cord-324395-v5uiuhih 191 7 James James NNP cord-324395-v5uiuhih 191 8 E. E. NNP cord-324395-v5uiuhih 191 9 Crowe Crowe NNP cord-324395-v5uiuhih 191 10 for for IN cord-324395-v5uiuhih 191 11 his -PRON- PRP$ cord-324395-v5uiuhih 191 12 support support NN cord-324395-v5uiuhih 191 13 and and CC cord-324395-v5uiuhih 191 14 comments comment NNS cord-324395-v5uiuhih 191 15 on on IN cord-324395-v5uiuhih 191 16 the the DT cord-324395-v5uiuhih 191 17 manuscript manuscript NN cord-324395-v5uiuhih 191 18 , , , cord-324395-v5uiuhih 191 19 and and CC cord-324395-v5uiuhih 191 20 Dr. Dr. NNP cord-324395-v5uiuhih 191 21 Peter Peter NNP cord-324395-v5uiuhih 191 22 D. D. NNP cord-324395-v5uiuhih 191 23 Kwong Kwong NNP cord-324395-v5uiuhih 191 24 and and CC cord-324395-v5uiuhih 191 25 Dr. Dr. NNP cord-324395-v5uiuhih 191 26 Gwo Gwo NNP cord-324395-v5uiuhih 191 27 - - HYPH cord-324395-v5uiuhih 191 28 yu yu NNP cord-324395-v5uiuhih 191 29 Chuang Chuang NNP cord-324395-v5uiuhih 191 30 for for IN cord-324395-v5uiuhih 191 31 their -PRON- PRP$ cord-324395-v5uiuhih 191 32 constructive constructive JJ cord-324395-v5uiuhih 191 33 feedback feedback NN cord-324395-v5uiuhih 191 34 . . . cord-324395-v5uiuhih 192 1 Authors author NNS cord-324395-v5uiuhih 192 2 ' ' POS cord-324395-v5uiuhih 192 3 contributions contribution NNS cord-324395-v5uiuhih 192 4 TL TL NNP cord-324395-v5uiuhih 192 5 and and CC cord-324395-v5uiuhih 192 6 CS CS NNP cord-324395-v5uiuhih 192 7 conceived conceive VBN cord-324395-v5uiuhih 192 8 of of IN cord-324395-v5uiuhih 192 9 the the DT cord-324395-v5uiuhih 192 10 idea idea NN cord-324395-v5uiuhih 192 11 ; ; : cord-324395-v5uiuhih 192 12 TL TL NNP cord-324395-v5uiuhih 192 13 designed design VBD cord-324395-v5uiuhih 192 14 and and CC cord-324395-v5uiuhih 192 15 wrote write VBD cord-324395-v5uiuhih 192 16 the the DT cord-324395-v5uiuhih 192 17 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 192 18 package package NN cord-324395-v5uiuhih 192 19 ; ; : cord-324395-v5uiuhih 192 20 TL TL NNP cord-324395-v5uiuhih 192 21 and and CC cord-324395-v5uiuhih 192 22 CS CS NNP cord-324395-v5uiuhih 192 23 wrote write VBD cord-324395-v5uiuhih 192 24 the the DT cord-324395-v5uiuhih 192 25 paper paper NN cord-324395-v5uiuhih 192 26 . . . cord-324395-v5uiuhih 193 1 All all DT cord-324395-v5uiuhih 193 2 authors author NNS cord-324395-v5uiuhih 193 3 read read VBP cord-324395-v5uiuhih 193 4 and and CC cord-324395-v5uiuhih 193 5 approved approve VBD cord-324395-v5uiuhih 193 6 the the DT cord-324395-v5uiuhih 193 7 final final JJ cord-324395-v5uiuhih 193 8 manuscript manuscript NN cord-324395-v5uiuhih 193 9 . . . cord-324395-v5uiuhih 194 1 This this DT cord-324395-v5uiuhih 194 2 work work NN cord-324395-v5uiuhih 194 3 was be VBD cord-324395-v5uiuhih 194 4 supported support VBN cord-324395-v5uiuhih 194 5 by by IN cord-324395-v5uiuhih 194 6 a a DT cord-324395-v5uiuhih 194 7 grant grant NN cord-324395-v5uiuhih 194 8 from from IN cord-324395-v5uiuhih 194 9 the the DT cord-324395-v5uiuhih 194 10 Human Human NNP cord-324395-v5uiuhih 194 11 Vaccines Vaccines NNPS cord-324395-v5uiuhih 194 12 Project Project NNP cord-324395-v5uiuhih 194 13 . . . cord-324395-v5uiuhih 195 1 TL TL NNP cord-324395-v5uiuhih 195 2 would would MD cord-324395-v5uiuhih 195 3 like like VB cord-324395-v5uiuhih 195 4 to to TO cord-324395-v5uiuhih 195 5 acknowledge acknowledge VB cord-324395-v5uiuhih 195 6 the the DT cord-324395-v5uiuhih 195 7 support support NN cord-324395-v5uiuhih 195 8 of of IN cord-324395-v5uiuhih 195 9 the the DT cord-324395-v5uiuhih 195 10 Swiss Swiss NNP cord-324395-v5uiuhih 195 11 National National NNP cord-324395-v5uiuhih 195 12 Science Science NNP cord-324395-v5uiuhih 195 13 Foundation Foundation NNP cord-324395-v5uiuhih 195 14 ( ( -LRB- cord-324395-v5uiuhih 195 15 grant grant NNP cord-324395-v5uiuhih 195 16 P3P3PA_174356 P3P3PA_174356 NNP cord-324395-v5uiuhih 195 17 ) ) -RRB- cord-324395-v5uiuhih 195 18 . . . cord-324395-v5uiuhih 196 1 The the DT cord-324395-v5uiuhih 196 2 funding funding NN cord-324395-v5uiuhih 196 3 bodies body NNS cord-324395-v5uiuhih 196 4 Human Human NNP cord-324395-v5uiuhih 196 5 Vaccines Vaccines NNPS cord-324395-v5uiuhih 196 6 Project Project NNP cord-324395-v5uiuhih 196 7 and and CC cord-324395-v5uiuhih 196 8 Swiss Swiss NNP cord-324395-v5uiuhih 196 9 National National NNP cord-324395-v5uiuhih 196 10 Science Science NNP cord-324395-v5uiuhih 196 11 Foundation Foundation NNP cord-324395-v5uiuhih 196 12 had have VBD cord-324395-v5uiuhih 196 13 no no DT cord-324395-v5uiuhih 196 14 role role NN cord-324395-v5uiuhih 196 15 in in IN cord-324395-v5uiuhih 196 16 the the DT cord-324395-v5uiuhih 196 17 design design NN cord-324395-v5uiuhih 196 18 of of IN cord-324395-v5uiuhih 196 19 the the DT cord-324395-v5uiuhih 196 20 study study NN cord-324395-v5uiuhih 196 21 ; ; : cord-324395-v5uiuhih 196 22 collection collection NN cord-324395-v5uiuhih 196 23 , , , cord-324395-v5uiuhih 196 24 analysis analysis NN cord-324395-v5uiuhih 196 25 , , , cord-324395-v5uiuhih 196 26 and and CC cord-324395-v5uiuhih 196 27 interpretation interpretation NN cord-324395-v5uiuhih 196 28 of of IN cord-324395-v5uiuhih 196 29 data datum NNS cord-324395-v5uiuhih 196 30 ; ; , cord-324395-v5uiuhih 196 31 or or CC cord-324395-v5uiuhih 196 32 in in IN cord-324395-v5uiuhih 196 33 writing write VBG cord-324395-v5uiuhih 196 34 the the DT cord-324395-v5uiuhih 196 35 manuscript manuscript NN cord-324395-v5uiuhih 196 36 . . . cord-324395-v5uiuhih 197 1 Glycosylator Glycosylator NNP cord-324395-v5uiuhih 197 2 is be VBZ cord-324395-v5uiuhih 197 3 available available JJ cord-324395-v5uiuhih 197 4 from from IN cord-324395-v5uiuhih 197 5 the the DT cord-324395-v5uiuhih 197 6 following follow VBG cord-324395-v5uiuhih 197 7 Github Github NNP cord-324395-v5uiuhih 197 8 repository repository NN cord-324395-v5uiuhih 197 9 : : : cord-324395-v5uiuhih 198 1 https://github https://github NNP cord-324395-v5uiuhih 198 2 . . . cord-324395-v5uiuhih 199 1 com com NN cord-324395-v5uiuhih 200 1 /tlemmin /tlemmin . cord-324395-v5uiuhih 200 2 / / SYM cord-324395-v5uiuhih 200 3 glycosylator glycosylator NNP cord-324395-v5uiuhih 200 4 Ethics Ethics NNP cord-324395-v5uiuhih 200 5 approval approval NN cord-324395-v5uiuhih 200 6 and and CC cord-324395-v5uiuhih 200 7 consent consent NN cord-324395-v5uiuhih 200 8 to to TO cord-324395-v5uiuhih 200 9 participate participate VB cord-324395-v5uiuhih 200 10 Not not RB cord-324395-v5uiuhih 200 11 applicable applicable JJ cord-324395-v5uiuhih 200 12 . . . cord-324395-v5uiuhih 201 1 Not not RB cord-324395-v5uiuhih 201 2 applicable applicable JJ cord-324395-v5uiuhih 201 3 . . . cord-324395-v5uiuhih 202 1 The the DT cord-324395-v5uiuhih 202 2 authors author NNS cord-324395-v5uiuhih 202 3 declare declare VBP cord-324395-v5uiuhih 202 4 that that IN cord-324395-v5uiuhih 202 5 they -PRON- PRP cord-324395-v5uiuhih 202 6 have have VBP cord-324395-v5uiuhih 202 7 no no DT cord-324395-v5uiuhih 202 8 competing compete VBG cord-324395-v5uiuhih 202 9 interests interest NNS cord-324395-v5uiuhih 202 10 . . . cord-324395-v5uiuhih 202 11 _SP