Educational Background:
B.Sc. (Hons. in Chemistry), 2002 : Presidency College, Kolkata (Univ. of Calcutta)
M.S. (by research), 2005 : Division of Chemical Sciences, Indian Institute of Science, Bangalore
Ph.D., 2010 : Indian Institute of Science, Bangalore (Supervisor: Prof. Biman Bagchi)
Professional Background:
2009-2012 : Postdoctoral research associate in the group of Prof. Arieh Warshel (Nobel laureate in Chemistry, 2013), University of Southern California, USA
2012-2017 : Ramanujan Fellow in the Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune
2017-2018 : Reader-F, School of Chemical Sciences, NISER Bhubaneswar
May 2018 - May 2021 : Assistant Professor, SNBNCBS, Kolkata
June 2021 - till date : Associate Professor, SNBNCBS, Kolkata
Area of research:
Theoretical and Computational (Bio)Physical Chemistry.
Multi-scale modeling and computer simulations of complex systems
Statistical Mechanics
Rare event simulations and free energy calculations
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Significant Recent Publications:
[Google Scholar]
- Molecular Thermodynamic Origin of Substrate Promiscuity in the EnzymeLaccase: Toward a Broad-Spectrum Degrader of Dye Effluents, S. Mitra, A. Sil, R. Biswas* and S. Chakrabarty*, J. Phys. Chem.Lett.14, 1892(2023).
- How Far Is “Bulk Water" from Interfaces? Depends on the Nature ofthe Surface and What We Measure, V. Hande and S. Chakrabarty*, J. Phys. Chem. B126, 1125 (2022).
- Structural and dynamical heterogeneity of water trapped inside Na+-pumping KR2 rhodopsin in the dark state, M. Santra, A. Seal, K. Bhattacharjee, and S. Chakrabarty*, J. Chem.Phys.154, 215101 (2021).
- Heterogeneous Nucleation in Citrate Synthesis of AgNPs: Effect ofMixing and Solvation Dynamics, J. B. Deshpande, S. Chakrabarty* and A. A. Kulkarni*, Chemical Engineering Journal421, 127753 (2021).
- Organoselenium Compounds as Acetylcholinesterase Inhibitors: Multitudeof Mixed Inhibition Pathways, A. Kumawat, S. Raheem, F. Ali, T. A. Dar, S. Chakrabarty* and M. A. Rizvi*, J. Phys. Chem. B125, 1531 (2021).
- Protonation-Induced Dynamic Allostery in PDZ Domain: Evidence of
Perturbation-Independent Universal Response Network, A. Kumawat and S. Chakrabarty*,
J. Phys. Chem. Lett. 11, 9026 (2020).
- Amit Kumawat and Suman Chakrabarty, Hidden electrostatic basis of dynamic
allostery in a PDZ domain, Proc. Nat. Acad. Sci. USA., 114, E5825 - E5834 (2017).
- Temperature Induced Misfolding in Prion Protein: Evidences of MultiplePartially Disordered States Stabilized by Non-native HydrogenBonds,N. Chamachi and S. Chakrabarty*, Biochemistry56, 833 (2017).
- Nucleotide Dependent Switching in Rho GTPase: Conformational Heterogeneityand Competing Molecular Interactions,A. Kumawat, S. Chakrabarty* and K. Kulkarni*, Scientific Reports7, 45829 (2017).
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