Md Fulbabu Sk

Plant-derived natural polyphenols as potential antiviral drugs against SARS-CoV-2 <i>via</i> RNA‐dependent RNA polymerase (RdRp) inhibition: an <i>in-silico</i> analysis

Satyam Singh, Md Fulbabu Sk, Avinash Sonawane et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 135 citations · Full text

Life Sciences, Molecular Biology, Pharmacology +17

Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations

Md Fulbabu Sk, Rajarshi Roy, Nisha Amarnath Jonniya et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 92 citations · Full text

Life Sciences, Medicinal Chemistry, Pharmacology +17

Investigating Phosphorylation-Induced Conformational Changes in WNK1 Kinase by Molecular Dynamics Simulations

Nisha Amarnath Jonniya, Md Fulbabu Sk, Parimal Kar · ACS Omega · 2019 · 64 citations · Full text

Natural Sciences, Biochemistry, Biophysics +17

Structure of the human dopamine transporter and mechanisms of inhibition

Dushyant Kumar Srivastava, Vikas Navratna, Dilip K. Tosh et al. · Nature · 2024 · 54 citations · Full text

Life Sciences, Neuroscience, Pharmacology +15

Identification of Potential Inhibitors against Epstein–Barr Virus Nuclear Antigen 1 (EBNA1): An Insight from Docking and Molecular Dynamic Simulations

Shweta Jakhmola, Nisha Amarnath Jonniya, Md Fulbabu Sk et al. · ACS Chemical Neuroscience · 2021 · 49 citations

Pharmacy, Medicinal Chemistry, Pharmacology +17