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Identifying non-nucleoside inhibitors of RNA-dependent RNA-polymerase of SARS-CoV-2 through per-residue energy decomposition-based pharmacophore modeling, molecular docking, and molecular dynamics simulation

BACKGROUND AND OBJECTIVE: The current coronavirus disease-2019 (COVID-19) pandemic has triggered a worldwide health and economic crisis. The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) causes the disease and completes its life cycle using the RNA-dependent RNA-polymerase (RdRp) enzy...

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Detalles Bibliográficos
Autores principales:	Aziz, Shahkaar, Waqas, Muhammad, Mohanta, Tapan Kumar, Halim, Sobia Ahsan, Iqbal, Aqib, Ali, Amjad, Khalid, Asaad, Abdalla, Ashraf N., Khan, Ajmal, Al-Harrasi, Ahmed
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	The Author(s). Published by Elsevier Ltd on behalf of King Saud Bin Abdulaziz University for Health Sciences. 2023
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9927802/ https://www.ncbi.nlm.nih.gov/pubmed/36801630 http://dx.doi.org/10.1016/j.jiph.2023.02.009

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