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Mechanistic investigation of SARS-CoV-2 main protease to accelerate design of covalent inhibitors

Targeted covalent inhibition represents one possible strategy to block the function of SARS-CoV-2 Main Protease (M(PRO)), an enzyme that plays a critical role in the replication of the novel SARS-CoV-2. Toward the design of covalent inhibitors, we built a covalent inhibitor dataset using deep learni...

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Detalles Bibliográficos
Autores principales:	Kim, Hoshin, Hauner, Darin, Laureanti, Joseph A., Agustin, Kruel, Raugei, Simone, Kumar, Neeraj
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Nature Publishing Group UK 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9722715/ https://www.ncbi.nlm.nih.gov/pubmed/36470873 http://dx.doi.org/10.1038/s41598-022-23570-6

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