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Mechanism of reaction of RNA-dependent RNA polymerase from SARS-CoV-2

We combine molecular dynamics, statistical mechanics, and hybrid quantum mechanics/molecular mechanics simulations to describe mechanistically the severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) RNA-dependent RNA polymerase (RdRp). Our study analyzes the binding mode of both natural tri...

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Detalles Bibliográficos
Autores principales:	Aranda, Juan, Wieczór, Milosz, Terrazas, Montserrat, Brun-Heath, Isabelle, Orozco, Modesto
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier B.V 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9016896/ https://www.ncbi.nlm.nih.gov/pubmed/35465139 http://dx.doi.org/10.1016/j.checat.2022.03.019

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