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phytochemdb: a platform for virtual screening and computer-aided drug designing.
Mahmud S, Paul GK, Biswas S, Kazi T, Mahbub S, Mita MA, Afrose S, Islam A, Ahaduzzaman S, Hasan R, Shimu SS, Promi MM, Shehab MN, Rahman E, Sujon KM, Alom W, Modak A, Zaman S, Uddin S, Emran TB, Islam S, Saleh A. Mahmud S, et al. Among authors: shimu ss. Database (Oxford). 2022 Jan 29;2022(2022):baac002. doi: 10.1093/database/baac002. Database (Oxford). 2022. PMID: 35234849 Free PMC article.
Molecular docking and dynamics study to explore phytochemical ligand molecules against the main protease of SARS-CoV-2 from extensive phytochemical datasets.
Mahmud S, Mita MA, Biswas S, Paul GK, Promi MM, Afrose S, Hasan R, Shimu SS, Zaman S, Uddin S, Tallei TE, Emran TB, Saleh A. Mahmud S, et al. Among authors: shimu ss. Expert Rev Clin Pharmacol. 2021 Oct;14(10):1305-1315. doi: 10.1080/17512433.2021.1959318. Epub 2021 Aug 5. Expert Rev Clin Pharmacol. 2021. PMID: 34301158