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Molecular simulation of SARS-CoV-2 spike protein binding to pangolin ACE2 or human ACE2 natural variants reveals altered susceptibility to infection

We constructed complex models of SARS-CoV-2 spike protein binding to pangolin or human ACE2, the receptor for virus transmission, and estimated the binding free energy changes using molecular dynamics simulation. SARS-CoV-2 can bind to both pangolin and human ACE2, but has a significantly lower bind...

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Detalles Bibliográficos
Autores principales:	Wang, Jingfang, Xu, Xintian, Zhou, Xinbo, Chen, Ping, Liang, Huiying, Li, Xuan, Zhong, Wu, Hao, Pei
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Microbiology Society 2020
Materias:	Short Communication
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7654750/ https://www.ncbi.nlm.nih.gov/pubmed/32538738 http://dx.doi.org/10.1099/jgv.0.001452

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