| Prediction of Rab5B inhibitors through integrative in silico techniques D Kashyap, S Koirala, V Saini, PH Bagde, S Samanta, P Kar, HC Jha Molecular Diversity, 1-16, 2023 | 3 | 2023 |
| Plant derived active compounds of ayurvedic neurological formulation, Saraswatharishta as a potential dual leucine zipper kinase inhibitor: an in-silico study S Koirala, R Roy, S Samanta, S Mahapatra, P Kar Journal of Biomolecular Structure and Dynamics, 1-14, 2023 | 2 | 2023 |
| Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation MF Sk, S Samanta, S Poddar, P Kar Journal of Computational Chemistry 45 (5), 247-263, 2024 | 1 | 2024 |
| Development of chalcone-like derivatives and their biological and mechanistic investigations as novel influenza nuclear export inhibitors C Liu, Y Zhang, P Li, H Jia, H Ju, J Zhang, EF da Silva-Júnior, S Samanta, ... European Journal of Medicinal Chemistry 261, 115845, 2023 | 1 | 2023 |
| Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey MF Sk, S Samanta, S Poddar, P Kar Journal of Computer-Aided Molecular Design 38 (1), 1-21, 2024 | | 2024 |
| Exploring molecular interactions of potential inhibitors against the spleen tyrosine kinase implicated in autoimmune disorders via virtual screening and molecular dynamics … S Samanta, MF Sk, S Koirala, P Kar SAR and QSAR in Environmental Research 34 (11), 869-897, 2023 | | 2023 |
| Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against Helicobacter pylori D Kashyap, S Koirala, R Roy, V Saini, N Varshney, PH Bagde, S Samanta, ... Journal of Biomolecular Structure and Dynamics, 1-13, 2023 | | 2023 |
| Molecular level investigation for identifying potential inhibitors against thymidylate kinase of monkeypox through in silico approaches S Koirala, S Samanta, S Mahapatra, KD Ursal, S Poddar, P Kar Journal of Biomolecular Structure and Dynamics, 1-14, 2023 | | 2023 |
| Investigating molecular recognition of small molecules by spleen tyrosine kinase (Syk) implicated in autoimmune disorders via multiscale simulations S Samanta Department of Biosciences and Biomedical Engineering, IIT Indore, 2022 | | 2022 |
Parimal KarIndian Institute of Technology IndoreVerified email at iiti.ac.in
