| Elucidating biophysical basis of binding of inhibitors to SARS-CoV-2 main protease by using molecular dynamics simulations and free energy calculations MF Sk, R Roy, NA Jonniya, S Poddar, P Kar Journal of Biomolecular Structure and Dynamics 39 (10), 3649-3661, 2021 | 81 | 2021 |
| Computational investigation of structural dynamics of SARS-CoV-2 methyltransferase-stimulatory factor heterodimer nsp16/nsp10 bound to the cofactor SAM MF Sk, NA Jonniya, R Roy, S Poddar, P Kar Frontiers in Molecular Biosciences 7, 590165, 2020 | 40 | 2020 |
| Investigating the mechanism of recognition and structural dynamics of nucleoprotein-RNA complex from Peste des petits ruminants virus via Gaussian accelerated … R Roy, A Mishra, S Poddar, D Nayak, P Kar Journal of Biomolecular Structure and Dynamics 40 (5), 2302-2315, 2022 | 27 | 2022 |
| Finding potent inhibitors against SARS-CoV-2 main protease through virtual screening, ADMET, and molecular dynamics simulation studies R Roy, MF Sk, NA Jonniya, S Poddar, P Kar Journal of Biomolecular Structure and Dynamics 40 (14), 6556-6568, 2022 | 20 | 2022 |
| Structural changes in DNA-binding proteins on complexation S Poddar, D Chakravarty, P Chakrabarti Nucleic Acids Research 46 (7), 3298-3308, 2018 | 18 | 2018 |
| Unraveling the molecular mechanism of recognition of human interferon-stimulated gene product 15 by coronavirus papain-like proteases: A multiscale simulation study R Roy, NA Jonniya, S Poddar, MF Sk, P Kar Journal of Chemical Information and Modeling 61 (12), 6038-6052, 2021 | 10 | 2021 |
| Conformational preferences of triantennary and tetraantennary hybrid N-glycans in aqueous solution: Insights from 20 μs long atomistic molecular dynamic simulations R Roy, S Poddar, MF Sk, P Kar Journal of Biomolecular Structure and Dynamics 41 (8), 3305-3320, 2023 | 8 | 2023 |
| Structural analysis of human ATE1 isoforms and their interactions with Arg-tRNAArg R Naga, S Poddar, A Bhattacharjee, P Kar, A Bose, VSK Mattaparthi, ... Journal of Biomolecular Structure and Dynamics, 1-20, 2023 | 2 | 2023 |
| Comparison of the conformational dynamics of an N-glycan in implicit and explicit solvents R Roy, S Poddar, P Kar Carbohydrate Research 522, 108700, 2022 | 2 | 2022 |
| 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 |
| Conformational Preferences of an N-Glycan in Aqueous Solution: A Case Study for Evaluating the Accuracy of Generalized Born Model R Roy, S Poddar, P Kar Available at SSRN 4113756, 0 | 1 | |
| 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 |
| Protein S-palmitoylation is markedly inhibited by 4 ″-alkyl ether lipophilic derivatives of EGCG, the major green tea polyphenol: In vitro and in silico studies A Binoy, M Kothari, R Sahadevan, S Poddar, P Kar, S Sadhukhan Biochimica et Biophysica Acta (BBA)-Biomembranes 1866 (3), 184264, 2024 | | 2024 |
| The conformational dynamics of Hepatitis C Virus E2 glycoprotein with the increasing number of N-glycosylation unraveled by molecular dynamics simulations S Poddar, R Roy, P Kar Journal of Biomolecular Structure and Dynamics, 1-16, 2024 | | 2024 |
| Computer-aided affinity enhancement of a cross-reactive antibody against dengue virus envelope domain III NA Jonniya, S Poddar, S Mahapatra, P Kar Cell Biochemistry and Biophysics 81 (4), 737-755, 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 |
| Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens S Poddar, R Roy, P Kar Journal of Biomolecular Structure and Dynamics, 1-15, 2023 | | 2023 |
Parimal KarIndian Institute of Technology IndoreVerified email at iiti.ac.in
