Swapnil P. Bhujbal

Rational approach toward COVID-19 main protease inhibitors via molecular docking, molecular dynamics simulation and free energy calculation

Seketoulie Keretsu, Swapnil P. Bhujbal, Seung Joo Cho · Scientific Reports · 2020 · 155 citations · Full text

Computational study of paroxetine-like inhibitors reveals new molecular insight to inhibit GRK2 with selectivity over ROCK1

Seketoulie Keretsu, Swapnil P. Bhujbal, Seung Joo Cho · Scientific Reports · 2019 · 32 citations · Full text

Molecular modeling studies of pyrrolo[2,3-d]pyrimidin-4-amine derivatives as JAK1 inhibitors based on 3D-QSAR, molecular docking, molecular dynamics (MD) and MM-PBSA calculations

Seketoulie Keretsu, Swapnil P. Bhujbal, Seung Joo Cho · Journal of Biomolecular Structure and Dynamics · 2020 · 19 citations · Full text

3D-QSAR-aided design of potent c-Met inhibitors using molecular dynamics simulation and binding free energy calculation

Pavithra K. Balasubramanian, Anand Balupuri, Swapnil P. Bhujbal et al. · Journal of Biomolecular Structure and Dynamics · 2018 · 13 citations

Docking and 3D-QSAR Studies of Hydrazone and Triazole Derivatives for Selective Inhibition of GRK2 over ROCK2

Seketoulie Keretsu, Swapnil P. Bhujbal, Seung Joo Cho · Letters in Drug Design & Discovery · 2019 · 12 citations