• Postdoctoral Fellow, Department of Chemistry, The University of Texas – Austin, TX, 2016 – 2023
• Ph.D., BioMaPS Institute, Rutgers University, NJ, 2010 – 2016
• B.S., Department of Chemistry, University of Science, Vietnam National University Ho Chi Minh City, Vietnam, 2004 – 2008
  

• Theory and simulations of protein/RNA folding and dynamics
• Liquid-liquid phase separation of RNA and proteins
• RNA structures and folding thermodynamics

We specialize in developing and applying computational methods and tools to study biological systems at the molecular level. By combining expertise in chemistry, biophysics, polymer physics and molecular biology, we aim to uncover the fundamental principles underlying the behavior of biomolecules, their interactions and functions. Our goal is to advance our understanding of biological processes and contribute to the development of new therapeutic approaches. We are currently focusing on:

1. Computational modeling of phase separation
2. RNA structure and folding
3. Intrinsically disordered proteins

Google Scholar

1. Tian, S.; HTN; Ye Z.; Rouskin S.; Thirumalai, D.; Trcek T. The Folding of Germ Granule mRNAs controls Intermolecular Base Pairing in Germ Granules and Maintains Normal Fly Development. BioRxiv 2024.
2. Mondal, B.; Chakraborty, D.; Hori, N.; HTN; Thirumalai, D. Competition between Stacking and Divalent Cation-Mediated Electrostatic Interactions Determines the Conformations of Short DNA Sequences. J. Chem. Theory Comput. 2024, 20, 2934-2946.
3. Maity, H.; HTN; Hori, N.; Thirumalai, D. Salt-Dependent Self-Association of Trinucleotide Repeat RNA Sequences. J. Phys. Chem. Lett. 2024, 15, 3820-3827.
4. Mugnai, M. L.; Chakraborty, D.; Kumar, A.; HTN; Zeno, W.; Stachowiak, J. C.; Straub, J.  E.; Thirumalai, D. Sizes, conformational fluctuations, and SAXS profiles for intrinsically disordered proteins. BioRxiv 2023.
5. Maity, H.; HTN; Hori, N.; Thirumalai, D. Odd-even disparity in the population of slipped hairpins in  RNA repeat sequences with implications for phase separation.  PNAS  2023, 120, e2301409120.
6. HTN; Hori. N.; Thirumalai, D. Condensates in RNA repeat sequences are heterogeneously organized and exhibit reptation dynamics. Nat. Chem. 2022, 14, 775- 785.
7. HTN; Thirumalai, D. Charge Density of Cation Determines Inner versus Outer Shell Coordination to Phosphate in RNA. J. Phys. Chem. B 2020, 124, 4114-4122.
8. HTN; Hori, N.; Thirumalai, D. Theory and simulations for RNA folding in mixtures of monovalent and divalent cations. PNAS 2019, 116, 21022-21030.
9. HTN; Pabit, S. A.; Pollack, L.; Case, D. A. Extracting water and ion distributions from solution X-ray scattering experiments. J. Chem. Phys. 2016, 144, 214105.
10. HTN; Pabit, S. A.; Meisburger, S. P.; Pollack, L.; Case, D. A. Accurate small and wide angle X-ray scattering profiles from atomic models of proteins and nucleic acids. J. Chem. Phys. 2014, 141, 22D508.