Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants

Electrostatic Interactions Are the Primary Determinant of the Binding Affinity of SARS-CoV-2 Spike RBD to ACE2: A Computational Case Study of Omicron Variants

To explore the mechanistic origin that determines the binding affinity of SARS-CoV-2 spike receptor binding domain (RBD) to human angiotensin converting enzyme 2 (ACE2), we constructed the homology models of RBD-ACE2 complexes of four Omicron subvariants (BA.1, BA.2, BA.3 and BA.4/5), and compared t...

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Bibliographic Details
Main Authors: Peng Sang, Yong-Qin Chen, Meng-Ting Liu, Yu-Ting Wang, Ting Yue, Yi Li, Yi-Rui Yin, Li-Quan Yang
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:International Journal of Molecular Sciences
Subjects:
SARS-CoV-2
Omicron
RBD
ACE2
binding affinity
electrostatic interactions
Online Access:https://www.mdpi.com/1422-0067/23/23/14796

Internet

https://www.mdpi.com/1422-0067/23/23/14796

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