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Journal Articles
- 2024
[j8]Md Fulbabu Sk
, Sunanda Samanta, Sayan Poddar, Parimal Kar:
Deciphering the molecular choreography of Janus kinase 2 inhibition via Gaussian accelerated molecular dynamics simulations: a dynamic odyssey. J. Comput. Aided Mol. Des. 38(1): 8 (2024)- [j7]Md Fulbabu Sk, Sunanda Samanta, Sayan Poddar, Parimal Kar:
Microsecond dynamics of H10N7 influenza neuraminidase reveals the plasticity of loop regions and drug resistance due to the R292K mutation. J. Comput. Chem. 45(5): 247-263 (2024) - 2022
- [j6]Neha Jain, Md Fulbabu Sk, Amit Mishra, Parimal Kar, Amit Kumar:
Identification of novel efflux pump inhibitors for Neisseria gonorrhoeae via multiple ligand-based pharmacophores, e-pharmacophore, molecular docking, density functional theory, and molecular dynamics approaches. Comput. Biol. Chem. 98: 107682 (2022) - [j5]Shweta Jakhmola, Md Fulbabu Sk, Akash Chatterjee, Khushboo Jain, Parimal Kar, Hem Chandra Jha:
A plausible contributor to multiple sclerosis; presentation of antigenic myelin protein epitopes by major histocompatibility complexes. Comput. Biol. Medicine 148: 105856 (2022) - [j4]Nisha Amarnath Jonniya, Parimal Kar:
Functional Loop Dynamics and Characterization of the Inactive State of the NS2B-NS3 Dengue Protease due to Allosteric Inhibitor Binding. J. Chem. Inf. Model. 62(16): 3800-3813 (2022) - 2021
- [j3]Rajarshi Roy, Nisha Amarnath Jonniya, Sayan Poddar, Md Fulbabu Sk, Parimal Kar:
Unraveling the Molecular Mechanism of Recognition of Human Interferon-Stimulated Gene Product 15 by Coronavirus Papain-Like Proteases: A Multiscale Simulation Study. J. Chem. Inf. Model. 61(12): 6038-6052 (2021) - 2012
- [j2]Parimal Kar, Volker Knecht:
Energetic basis for drug resistance of HIV-1 protease mutants against amprenavir. J. Comput. Aided Mol. Des. 26(2): 215-232 (2012) - 2007
- [j1]Parimal Kar, Yanjie Wei, Ulrich H. E. Hansmann, Siegfried Höfinger:
Systematic study of the boundary composition in Poisson Boltzmann calculations. J. Comput. Chem. 28(16): 2538-2544 (2007)
Coauthor Index
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