Sayan Poddar

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 · 90 citations · Full text

Computational Investigation of Structural Dynamics of SARS-CoV-2 Methyltransferase-Stimulatory Factor Heterodimer nsp16/nsp10 Bound to the Cofactor SAM

Md Fulbabu Sk, Nisha Amarnath Jonniya, Rajarshi Roy et al. · Frontiers in Molecular Biosciences · 2020 · 46 citations · Full text

Viral Replication, Structural Bioinformatics, Biomolecular Structure Prediction +20

Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from <i>Peste des petits ruminants virus</i> via Gaussian accelerated molecular dynamics simulations

Rajarshi Roy, Anurag Mishra, Sayan Poddar et al. · Journal of Biomolecular Structure and Dynamics · 2020 · 26 citations

Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies

Rajarshi Roy, Md Fulbabu Sk, Nisha Amarnath Jonniya et al. · Journal of Biomolecular Structure and Dynamics · 2021 · 25 citations · Full text

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. · 2020 · 16 citations · Full text

Protein Assembly, Molecular Biology, Peptide Science +22