Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation Study. - Rajarshi Roy 006; Nisha Amarnath Jonniya; Sayan Poddar; Md Fulbabu Sk; Parimal Kar (J. Chem. Inf. Model., 2021)

Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation. - Md Fulbabu Sk; Sunanda Samanta; Sayan Poddar; Parimal Kar (J. Comput. Chem., 2024)

Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey. - Md Fulbabu Sk; Sunanda Samanta; Sayan Poddar; Parimal Kar (J. Comput. Aided Mol. Des., 2024)