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:
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- Leveraging Bidirectional Nature of Allostery To Inhibit Protein-Protein Interactions (PPIs): A Case Study of PCSK9-LDLR Interaction, K. Sinha, I. Basu, Z. Shah, S. Shah, and S. Chakrabarty*, J. Chem. Inf. Model. 64, 3923, (2024).
- Molecular mechanism of regulation of RhoA GTPase by phosphorylation of RhoGDI, K. Sinha, A. Kumawat, H. Jang, R. Nussinov* and S. Chakrabarty*, Biophys. J. 123, 57 (2024).
- Efficient Light Harvesting in Self-assembled Organic Luminescent Nanotubes, S. K. Bhaumik, D. Maity, I. Basu, S. Chakrabarty* and S. Banerjee*, Chem. Sci. 14, 4363 (2023).
- Phosphorylation-Competent Metastable State of Escherichia coli Toxin HipA, B. Pandey, K. Sinha, A. Dev, H. K. Ganguly, S. Polley, S. Chakrabarty* and G. Basu*, Biochemistry 62, 989 (2023).
- Molecular Thermodynamic Origin of Substrate Promiscuity in the Enzyme Laccase: Toward a Broad-Spectrum Degrader of Dye Effluents, S. Mitra, A. Sil, R. Biswas* and S. Chakrabarty*, J. Phys. Chem. Lett. 14, 1892 (2023).
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