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In Silico Prediction of Novel Inhibitors of SARS-CoV-2 Main Protease through Structure-Based Virtual Screening and Molecular Dynamic Simulation

The unprecedented pandemic of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is threatening global health. SARS-CoV-2 has caused severe disease with significant mortality since December 2019. The enzyme chymotrypsin-like protease (3CLpro) or main protease (M(pro)) of the virus is consi...

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Detalles Bibliográficos
Autores principales: Halim, Sobia Ahsan, Waqas, Muhammad, Khan, Ajmal, Al-Harrasi, Ahmed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8471057/
https://www.ncbi.nlm.nih.gov/pubmed/34577596
http://dx.doi.org/10.3390/ph14090896