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Elucidation of Cryptic and Allosteric Pockets within the SARS-CoV-2 Main Protease

The SARS-CoV-2 pandemic has rapidly spread across the globe, posing an urgent health concern. Many quests to computationally identify treatments against the virus rely on in silico small molecule docking to experimentally determined structures of viral proteins. One limit to these approaches is that...

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Detalles Bibliográficos
Publicado en:J Chem Inf Model
Main Authors: Sztain, Terra, Amaro, Rommie, McCammon, J. Andrew
Formato: Artigo
Idioma:Inglês
Publicado: 2021
Assuntos:
Acceso en liña:https://ncbi.nlm.nih.gov/pmc/articles/PMC8117783/
https://ncbi.nlm.nih.gov/pubmed/33939913
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jcim.1c00140
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