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Comparative molecular dynamics study of the receptor-binding domains in SARS-CoV-2 and SARS-CoV and the effects of mutations on the binding affinity

Here, we report on a computational comparison of the receptor-binding domains (RBDs) on the spike proteins of severe respiratory syndrome coronavirus‐2 (SARS-CoV-2) and SARS-CoV in free forms and as complexes with angiotensin-converting enzyme 2 (ACE2) as their receptor in humans. The impact of 42 m...

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Detalhes bibliográficos
Publicado no:J Biomol Struct Dyn
Main Authors: Rezaei, Shokouh, Sefidbakht, Yahya, Uskoković, Vuk
Formato: Artigo
Idioma:Inglês
Publicado em: Taylor & Francis 2020
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC7784839/
https://ncbi.nlm.nih.gov/pubmed/33331243
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1080/07391102.2020.1860829
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