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-Reference-Cited by-同舟云学术

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

Published:2021-11-22 Issue:12 Volume:61 Page:6079-6084
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Fratev Filip¹²^ORCID

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

2. Adaptation of SARS-CoV-2 in BALB/c mice for testing vaccine efficacy

3. Advancing Drug Discovery through Enhanced Free Energy Calculations

4. Relative Binding Affinity Prediction of Charge-Changing Sequence Mutations with FEP in Protein–Protein Interfaces

5. Examining the Feasibility of Using Free Energy Perturbation (FEP+) in Predicting Protein Stability

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