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Prabir Khatua

Prabir Khatua

Assistant Professor

Department of Chemistry

GITAM School of Science

Bengaluru

Education

Ph. D.

Prabir Khatua earned his PhD from IIT Kharagpur (2018) and completed 4 years of postdoctoral research in the USA. He leads the SYSTEMS (Simulation laboratorY for Soft maTErials & bioMoleculeS) group, where the group studies soft matter—primarily biological systems—using theory, modeling and simulation. His current research focuses on protein aggregation, chromatin dynamics, and non-canonical nucleic acid structures to uncover mechanisms underlying diseases like Alzheimer's and cancer.

Research Publications

  • Khatua, P., Zaragoza, A., Molinero, V. Short-Ranged United-Atom Model for Efficient Simulations of Glycerol and Its Aqueous Mixtures J. Phys. Chem. B 2025, 129, 2584-2597.
  • 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.

Ongoing Research Projects

  • Check Icon Title: A Novel Theoretical Approach for Understanding the Effect of Histone Posttranslational Modifications on Nucleosome Unwrapping, Funding Agency: ANRF under PMECRG scheme, Amount: 64.3 Lakh, Role: PI
  • Check Icon Title: Deciphering Dynamic Transformations: Exploring the Intriguing Interconversion Pathway between G-Quadruplex DNA Topologies for Enhanced Cancer Therapy, Funding Agency: GITAM under MURTI Scheme, Amount: 5 Lakh, Role: PI

Expertise

  • Check Icon Molecular Dynamics Simulations
  • Check Icon Statistical Mechanics
  • Check Icon Computational Biophysical Chemistry, Systems Biology
  • Check Icon Stochastic Modeling
  • Check Icon Force Field and Advanced Simulation Method Development
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