Unraveling the binding mechanisms of SARS-CoV-2 variants through molecular simulations

Unraveling the binding mechanisms of SARS-CoV-2 variants through molecular simulations

The emergence of SARS-CoV-2 variants like Delta (AY.29) and Omicron (EG.5) poses continued challenges for vaccines and therapeutics. Mutations in the viral spike protein are key in altering infectivity and immune evasion. This study uses computational modeling to investigate the molecular binding me...

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Bibliographic Details
Main Authors: Shin-Pon Ju, Yung-Cheng Yang, Hsing-Yin Chen
Format: Article
Language:English
Published: Elsevier 2024-03-01
Series:Heliyon
Subjects:
SARS-CoV-2
Spike protein
Variants
Coare-grained molecular dynamics
Binding affinity
ACE2 receptor
Online Access:http://www.sciencedirect.com/science/article/pii/S2405844024032249

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http://www.sciencedirect.com/science/article/pii/S2405844024032249

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