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Target SARS-CoV-2: computation of binding energies with drugs of dexamethasone/umifenovir by molecular dynamics using OPLS-AA force field

INTRODUCTION: In recent times, myriads of public have been infected with a novel SARS-CoV-2, and the fatality toll has reached thousands and been mounting step by step, which is a major crisis in the world. The challenge for this burning issue pertinent to repurposed medicines which prevent novel co...

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Detalles Bibliográficos
Autores principales: Nayeem, Sk. Md, Sohail, Ershad Mohammed, Ridhima, G., Reddy, M. Srinivasa
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2021
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7791166/
http://dx.doi.org/10.1007/s42600-020-00119-y