N501Y and K417N Mutations in the Spike Protein of SARS-CoV-2 Alter the Interactions with Both hACE2 and Human-Derived Antibody: A Free Energy of Perturbation Retrospective Study
Author:
Affiliation:
1. Micar Innovation (Micar21) Ltd., Persenk 34B, 1407 Sofia, Bulgaria
2. Department of Pharmaceutical Sciences, School of Pharmacy, The University of Texas at El Paso, 1101 N Campbell Street, El Paso, Texas 79968, United States
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01242
Reference22 articles.
1. Mutant coronavirus in the United Kingdom sets off alarms, but its importance remains unclear
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5. Examining the Feasibility of Using Free Energy Perturbation (FEP+) in Predicting Protein Stability
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