Computational and theoretical exploration for clinical suitability of Remdesivir drug to SARS-CoV-2

A methodology for the exploration of clinical suitability of Remdesivir drug to SARS-CoV-2 main protease based on the computational, theoretical analysis pertinent to Gibb's free energy computed from the Molecular Dynamic simulations with OPLS-AA force field at 300 K/atmospheric pressure and th...

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Detalles Bibliográficos
Autores principales: Nayeem, Shaik Mahammad, Sohail, Ershad Mohammed, Sudhir, Gajjela Priyanka, Reddy, Munnangi Srinivasa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier B.V. 2021
Materias:
Full Length Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550911/
https://www.ncbi.nlm.nih.gov/pubmed/33065096
http://dx.doi.org/10.1016/j.ejphar.2020.173642

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7550911/
https://www.ncbi.nlm.nih.gov/pubmed/33065096
http://dx.doi.org/10.1016/j.ejphar.2020.173642

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