pkhatua@gitam.edu
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Dr. Prabir Khatua earned his PhD from IIT Kharagpur (2018) followed by 4 years postdoc in the USA. He leads the Molecular Simulation Lab, leveraging advanced statistical mechanics and multi-scale simulations. His diverse research explores Protein Biophysics (specifically Protein Aggregation), Nucleic Acid Biology (with a focus on Chromatin Dynamics and G-quadruplex), and Chemical Physics of Polymers, offering promising avenues in drug delivery and medicinal applications.
Research Publications
- Kumar, N.; Khatua, P.; Sinha, S. K. Can Local Heating and Molecular Crowders Disintegrate Amyloid Aggregates? Chem. Sci. 2024, 15, 6095-6105.
- Khatua, P.; Tang, P. K.; Ghosh Moulick, A.; Patel, R.; Manandhar, A.; Loverde, S. M. Sequence Dependence in Nucleosome Dynamics J. Phys. Chem. B 2024, 128, 3090-3101.
- Khatua, P.; Ray, A. J.; Hansmann, U. H. E. Bifurcated Hydrogen Bonds and the Fold Switching of Lymphotactin J. Phys. Chem. B 2020, 124, 6555-6564.
- Wang, W.; Khatua, P.; Hansmann, U. H. E. Cleavage, Downregulation, and Aggregation of Serum Amyloid A J. Phys. Chem. B 2020, 124, 1009-1019.
- Khatua, P.; Bandyopadhyay, S. Dynamical Crossover of Water Confined within the Amphiphilic Nanocores of Aggregated Amyloid Beta Peptides Phys. Chem. Chem. Phys. 2018, 20, 14835-14845.
Expertise
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Molecular Dynamics Simulations
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Protein Biophysics
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Computational Nucleic Acid Biology
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Ice Nucleation, Interfacial Phenomena
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Force Field Development, Simulations Method Development
