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Microsecond MD Simulation and Multiple-Conformation Virtual Screening to Identify Potential Anti-COVID-19 Inhibitors Against SARS-CoV-2 Main Protease

The recent pandemic outbreak of COVID-19, caused by severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2), raised global health and economic concerns. Phylogenetically, SARS-CoV-2 is closely related to SARS-CoV, and both encode the enzyme main protease (M(pro)/3CL(pro)), which can be a potent...

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Detalles Bibliográficos
Autores principales:	Selvaraj, Chandrabose, Panwar, Umesh, Dinesh, Dhurvas Chandrasekaran, Boura, Evzen, Singh, Poonam, Dubey, Vikash Kumar, Singh, Sanjeev Kumar
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2021
Materias:	Chemistry
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7873971/ https://www.ncbi.nlm.nih.gov/pubmed/33585398 http://dx.doi.org/10.3389/fchem.2020.595273

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