id	author	title	date	pages	extension	mime	words	sentences	flesch	summary	cache	txt
cord-103709-86hv27vh	Zhang, Dong Yan	Prefusion spike protein stabilization through computational mutagenesis	2020-06-19		.txt	text/plain	3243	184	53	The surface spike protein of SARS-CoV-2 mediates the process of coronavirus entry into human cells by binding angiotensin-converting enzyme 2 (ACE2). Our pipeline integrates bioinformatics analysis of conserved residues, motion dynamics from molecular dynamics simulations, and other structural analysis to identify residues that significantly contribute to the thermodynamic stability of the spike protein. We subject the selected residues to computational redesign using Eris to find the stabilizing mutations by calculating the change in free energy ∆∆ = ∆ − ∆ , where ∆ and ∆ are the free energies of the mutant protein and wild type proteins correspondingly. After the designation of the mutation sites, the pipeline utilizes Eris to determine the changes in free energies of the mutants. We analyze the conservation score, RMSF, and SASA of residues in the spike protein through the pipeline. Structure-based Design of Prefusion-stabilized SARS-CoV-2 Spikes	./cache/cord-103709-86hv27vh.txt	./txt/cord-103709-86hv27vh.txt