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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Detalles Bibliográficos
Autores principales: Sang, Peng, Chen, Yong-Qin, Liu, Meng-Ting, Wang, Yu-Ting, Yue, Ting, Li, Yi, Yin, Yi-Rui, Yang, Li-Quan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9740405/
https://www.ncbi.nlm.nih.gov/pubmed/36499120
http://dx.doi.org/10.3390/ijms232314796

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9740405/
https://www.ncbi.nlm.nih.gov/pubmed/36499120
http://dx.doi.org/10.3390/ijms232314796

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