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Benchmarking the ability of novel compounds to inhibit SARS-CoV-2 main protease using steered molecular dynamics simulations

BACKGROUND: The SARS-CoV-2 main protease (M(pro)) is an attractive target in the COVID-19 drug development process. It catalyzes the polyprotein's translation from viral RNA and specifies a particular cleavage site. Due to the absence of identical cleavage specificity in human cell proteases, t...

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Detalles Bibliográficos
Autores principales:	Singh, Rahul, Bhardwaj, Vijay Kumar, Das, Pralay, Bhattacherjee, Dhananjay, Zyryanov, Grigory V., Purohit, Rituraj
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Elsevier Ltd. 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9052739/ https://www.ncbi.nlm.nih.gov/pubmed/35551011 http://dx.doi.org/10.1016/j.compbiomed.2022.105572

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