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Determination of potential inhibitors based on isatin derivatives against SARS-CoV-2 main protease (mpro): a molecular docking, molecular dynamics and structure-activity relationship studies.
Badavath VN, Kumar A, Samanta PK, Maji S, Das A, Blum G, Jha A, Sen A. Badavath VN, et al. Among authors: das a. J Biomol Struct Dyn. 2022 Apr;40(7):3110-3128. doi: 10.1080/07391102.2020.1845800. Epub 2020 Nov 17. J Biomol Struct Dyn. 2022. PMID: 33200681 Free PMC article.