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Comparative study on quantum descriptors, molecular docking and dynamic simulation of antiviral drugs with Covid-19

Covid-19 is a beta-coronavirus that was first identified during the Wuhan COVID-19 epidemic in 2019. This study is focused on the quantum descriptors of the proposed antiviral drugs, molecular docking, and dynamics simulation with the main protease of coronavirus. Such drugs are Baloxavir, Chloroqui...

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Detalles Bibliográficos
Autores principales:	Ahmed Mahmoud Gad, Elshafie, Elshafie Ahmed, Mohamed, Al-Fahemi, Jabir H.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	Egyptian Petroleum Research Institute. Production and hosting by Elsevier B.V. 2021
Materias:	Full Length Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7826048/ http://dx.doi.org/10.1016/j.ejpe.2021.01.002

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