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Combination of QSAR, molecular docking, molecular dynamic simulation and MM-PBSA: analogues of lopinavir and favipiravir as potential drug candidates against COVID-19.
Rafi MO, Bhattacharje G, Al-Khafaji K, Taskin-Tok T, Alfasane MA, Das AK, Parvez MAK, Rahman MS. Rafi MO, et al. Among authors: alfasane ma. J Biomol Struct Dyn. 2022 May;40(8):3711-3730. doi: 10.1080/07391102.2020.1850355. Epub 2020 Nov 30. J Biomol Struct Dyn. 2022. PMID: 33251975 Free PMC article.