Experiences
Education
Skills
Programming
Python, R, FORTRAN, Shell Scripting, MATLAB, LaTeX
Molecular Simulation
CHARMM, AMBER, GROMACS, NAMD, AutoDock
Visualization & Analysis
PyMOL, VMD
Recent Publications (Last 3)
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Computational insights into VacA toxin inhibition: harnessing FDA-approved antibiotics against Helicobacter pylori
Authors: Kashyap, D., Koirala, S., Roy, R., Saini, V., Varshney, N., Bagde, P.H., Samanta, S., Kar, P., and Jha, H.C.
Journal of Biomolecular Structure and Dynamics β’ 2024
This study provides computational insights into VacA toxin inhibition by exploring the potential of FDA-approved antibiotics against Helicobacter pylori.
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Elucidating the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein through computational lens
Authors: Poddar, S., Roy, R., and Kar, P.
Journal of Biomolecular Structure and Dynamics β’ 2024
This work explores the conformational dynamics of histo-blood group antigens and their interactions with the rotavirus spike protein using computational approaches.
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Withania somnifera extract reduces gastric cancerous properties through inhibition of gankyrin in cellular milieu produced by Helicobacter pylori and Epstein Barr virus
Authors: Kashyap, D., Roy, R., Varshney, N., Baral, B., Bagde, P.H., Kandpal, M., Kumar, S., Kar, P., and Jha, H.C.
Journal of Biomolecular Structure and Dynamics β’ 2024
This study investigates the potential of Withania somnifera extract in reducing gastric cancerous properties by inhibiting gankyrin in cellular environments influenced by Helicobacter pylori and Epstein Barr virus.