id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-301641-epr1sct6	Kumar, Durgesh	Understanding the binding affinity of noscapines with protease of SARS-CoV-2 for COVID-19 using MD simulations at different temperatures	2020-05-04		.txt	text/plain	4095	204	49	Herein, MM-GBSA method was to calculate the change in enthalpy and the change in free energy for the formation of complex, number of hydrogen bonds (HBs) are determined to study the binding of the hit molecule with the protease of SARS-CoV-2 for COVID-19. However, the designed molecules were filtered against the protease of SARS-CoV-2 for COVID-19 based on total energy or binding energy (kcal/mol) of drug-target complex using iGEMDOCK Singh et al., 2019; Zhao et al., 2019) . Herein, MM-GBSA method is used to determine the change in enthalpy and change in free energy for the formation of complex, number of HBs to understand the binding of screened noscapines with the protease of SARS-CoV-2 of COVID-19 (Al-Anazi et al., 2018; Chaudhari & Pahelkar, 2019; Chinnasamy et al., 2019; Du et al., 2011) . Further, the detailed analysis of newly formed drug-target complex through root-mean-square fluctuation (RMSF) versus the residue number of protease of coronavirus for COVID-19 for top hit molecule is represented in Figure 7 .	./cache/cord-301641-epr1sct6.txt	./txt/cord-301641-epr1sct6.txt