Md. Ekhtiar Rahman

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2

Shafi Mahmud, Mohammad Abu Raihan Uddin, Gobindo Kumar Paul et al. · Briefings in Bioinformatics · 2020 · 114 citations · Full text

Bioorganic Chemistry, Molecular Biology, Chemical Biology +16

Molecular docking and dynamics study of natural compound for potential inhibition of main protease of SARS-CoV-2

Shafi Mahmud, Mohammad Abu Raihan Uddin, Meemtaheena Zaman et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 51 citations · Full text

Computational discovery of plant-based inhibitors against human carbonic anhydrase IX and molecular dynamics simulation

Shafi Mahmud, Md. Ekhtiar Rahman, Zulkar Nain et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 46 citations

Comparative molecular investigation of the potential inhibitors against SARS-CoV-2 main protease: a molecular docking study

Md. Arif Khan, Shafi Mahmud, A. S. M. Rubayet Ul Alam et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 41 citations · Full text

phytochemdb: a platform for virtual screening and computer-aided drug designing

Shafi Mahmud, Gobindo Kumar Paul, Suvro Biswas et al. · Database · 2022 · 35 citations · Full text

Drug Target, Lipinski Rule, Fraction Csp3 +17