Investigation on the interaction mechanism of different SARS-CoV-2 spike variants with hACE2: insights from molecular dynamics simulations-Reference-Cited by-同舟云学术

Investigation on the interaction mechanism of different SARS-CoV-2 spike variants with hACE2: insights from molecular dynamics simulations

Published:2023 Issue:3 Volume:25 Page:2304-2319
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Wu Jianhua¹^ORCID,Zhang Hong-Xing¹,Zhang Jilong¹

Affiliation:

1. Institute of Theoretical Chemistry, College of Chemistry, Jilin University, Changchun 130023, Jilin, People's Republic of China

Abstract

SARS-CoV-2 RBDs after single (D614G), double (D614G + L452R and D614G + N501Y), triple (D614G + N501Y + E484K), and quadruple (D614G + N501Y + E484K + K417T) mutations result in variants with different binding affinities for hACE2 receptor protein.

Funder

China Postdoctoral Science Foundation

National Natural Science Foundation of China

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2023/CP/D2CP04349A

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