Browsing by Author "Cuesta, Sebastián A."
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Molecular docking and molecular dynamics studies of SARS-CoV-2 inhibitors: crocin, digitoxigenin, beta eudesmol and favipiravir: comparative study Mora, José R.; Cuesta, Sebastián A.; Belhassan, Assia; Salgado Morán, G.; Lakhlifi, Tahar; Bouachrine, Mohammed; Peña F., Carlos; Gerli Candia, Lorena; Mendoza Huizar, Luis H. (2022)In this study, Crocin, Digitoxigenin, Beta-Eudesmol, and Favipiravir were docked in the active site of SARS-CoV-2 main protease (PDB code: 6LU7). The docking study was followed by Molecular Dynamics simulation. The result ...