In-silico study MM/GBSA binding free energy and molecular dynamics simulation of some designed remdesivir derivatives as the inhibitory potential of SARS-CoV-2 main protease
Background and purpose: Coronavirus disease (COVID-19) is one ofthe greatest challenges ofthe twentieth century. Recently, in silico tools help to predict new inhibitors of SARS-CoV-2. In this study, the new compounds based on the remdesivir structure (12 compounds) were designed. Experimental appro...
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| Formaat: | Boek |
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Wolters Kluwer Medknow Publications,
2024-01-01T00:00:00Z.
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A1234.567 |
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| Kopie 1 | Beschikbaar |