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Identification of novel inhibitors for SARS-CoV-2 as therapeutic options using machine learning-based virtual screening, molecular docking and MD simulation

The new coronavirus SARS-COV-2, which emerged in late 2019 from Wuhan city of China was regarded as causing agent of the COVID-19 pandemic. The primary protease which is also known by various synonymous i.e., main protease, 3-Chymotrypsin-like protease (3CL(PRO)) has a vital role in the replication...

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Detalles Bibliográficos
Autores principales:	Samad, Abdus, Ajmal, Amar, Mahmood, Arif, Khurshid, Beenish, Li, Ping, Jan, Syed Mansoor, Rehman, Ashfaq Ur, He, Pei, Abdalla, Ashraf N., Umair, Muhammad, Hu, Junjian, Wadood, Abdul
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Frontiers Media S.A. 2023
Materias:	Molecular Biosciences
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10028080/ https://www.ncbi.nlm.nih.gov/pubmed/36959979 http://dx.doi.org/10.3389/fmolb.2023.1060076

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