Suman Chakrabarty, PhD
Affiliations: | 2012-2017 | CSIR-National Chemical Laboratory, Pune, India | |
| 2017-2018 | NISER Bhubaneswar | ||
| 2018- | S. N. Bose National Centre for Basic Sciences |
Area:
Theoretical/Computational chemistry, computational modeling of complex systemsWebsite:
http://www.namusite.comGoogle:
"Suman Chakrabarty"Mean distance: 8.51
Parents
Sign in to add mentor| Biman Bagchi | grad student | 2009 | Indian Institute of Science |
| Arieh Warshel | post-doc | 2009-2012 | USC |
Children
Sign in to add trainee| Aniruddha Seal | research assistant | 2019-2019 | S N Bose National Centre for Basic Sciences |
| Nilesh Choudhary | grad student | 2012-2018 |
BETA: Related publications
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Publications
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| Mitra S, Biswas R, Chakrabarty S. (2025) WeTICA: A directed search weighted ensemble based enhanced sampling method to estimate rare event kinetics in a reduced dimensional space. The Journal of Chemical Physics. 162 |
| Mitra S, Sil A, Biswas R, et al. (2023) Molecular Thermodynamic Origin of Substrate Promiscuity in the Enzyme Laccase: Toward a Broad-Spectrum Degrader of Dye Effluents. The Journal of Physical Chemistry Letters. 1892-1898 |
| Tadepalli KM, Chakrabarty S, Patil P, et al. (2023) Design of CO Thickeners and Role of Aromatic Rings in Enhanced Oil Recovery Using Molecular Dynamics. Langmuir : the Acs Journal of Surfaces and Colloids |
| Santra M, Seal A, Bhattacharjee K, et al. (2021) Structural and dynamical heterogeneity of water trapped inside Na-pumping KR2 rhodopsin in the dark state. The Journal of Chemical Physics. 154: 215101 |
| Choudhary N, Chakrabarty S, Roy S, et al. (2019) A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations Chemical Physics. 516: 6-14 |
| Choudhary N, Hande VR, Roy S, et al. (2018) Effect of SDS Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study. The Journal of Physical Chemistry. B |
| Sharma P, Chakrabarty S, Roy S, et al. (2018) Molecular View of CO Capture by Polyethylenimine: Role of Structural and Dynamical Heterogeneity. Langmuir : the Acs Journal of Surfaces and Colloids |
| Kumawat A, Chakrabarty S. (2017) Hidden electrostatic basis of dynamic allostery in a PDZ domain. Proceedings of the National Academy of Sciences of the United States of America |
| Kumawat A, Chakrabarty S, Kulkarni K. (2017) Nucleotide Dependent Switching in Rho GTPase: Conformational Heterogeneity and Competing Molecular Interactions. Scientific Reports. 7: 45829 |
| Kashid SM, Jin GY, Chakrabarty S, et al. (2017) Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics. The Journal of Physical Chemistry Letters |