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Mechanistic insights into the effects of key mutations on SARS-CoV-2 RBD-ACE2 binding.

Physical chemistry chemical physics : PCCP - 1 Dec 2021

Aggarwal Abhishek, Naskar Supriyo, Maroli Nikhil, Gorai Biswajit, Dixit Narendra M, Maiti Prabal K

Abstract excerpt

Some recent SARS-CoV-2 variants appear to have increased transmissibility compared to the original strain. An underlying mechanism could be the improved ability of the variants to bind receptors on the target cells and infect them. In this study, we provide atomic-level insights into the binding of the receptor binding domain (RBD) of the wild-type SARS-CoV-2 spike protein and its single (N501Y), double (E484Q,...

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Identifiers

PMID: 34806722
DOI: 10.1039/d1cp04005g

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