Mechanistic Origin of Different Binding Affinities of SARS-CoV and SARS-CoV-2 Spike RBDs to Human ACE2

The receptor-binding domain (RBD) of the SARS-CoV-2 spike protein (RBD(CoV2)) has a higher binding affinity to the human receptor angiotensin-converting enzyme 2 (ACE2) than the SARS-CoV RBD (RBD(CoV)). Here, we performed molecular dynamics (MD) simulations, binding free energy (BFE) calculations, a...

Descripción completa

Detalles Bibliográficos
Autores principales: Zhang, Zhi-Bi, Xia, Yuan-Ling, Shen, Jian-Xin, Du, Wen-Wen, Fu, Yun-Xin, Liu, Shu-Qun
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032924/
https://www.ncbi.nlm.nih.gov/pubmed/35455955
http://dx.doi.org/10.3390/cells11081274

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9032924/
https://www.ncbi.nlm.nih.gov/pubmed/35455955
http://dx.doi.org/10.3390/cells11081274

Ejemplares similares