Work experience Ramanujan Fellow: (July current) Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune, India.

Transcription

1 Suman Chakrabarty Contact information Date of birth Broad area of research Physical and Materials Chemistry Division Phone: CSIR-National Chemical Laboratory Dr. Homi Bhabha Road, Pune chakrabarty.suman@gmail.com India academic.ncl.res.in/s.chakrabarty 8th October, 1981 Computational and theoretical (bio)physical chemistry Enhanced sampling methods for studying rare events Structure, dynamics and thermodynamics of soft-condensed matter systems Protein electrostatics Work experience Ramanujan Fellow: (July current) Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune, India. Quick Hire Fellow: (September June 2013) Physical and Materials Chemistry Division, CSIR-National Chemical Laboratory, Pune, India. Post-doctoral Research (September June 2012) : University of Southern California, USA Advisor: Prof. Arieh Warshel (Nobel Laureate in Chemistry, 2013) Area of research: Charge transport processes in membrane-protein systems; Structure-function correlation in biomolecules Education Ph.D. (September, 2010): Indian Institute of Science, Bangalore, India Advisor: Prof. Biman Bagchi Broad area of research: Theoretical physical chemistry Thesis title: Computer simulation studies of dynamics of phase transition in soft-condensed matter: isotropic-nematic, gas-liquid, and polymer collapse Date of thesis defense: July 2010 M.S. (by research): : part of integrated PhD program in Indian Institute of Science, Bangalore, India Advisor: Prof. Biman Bagchi Project thesis title: Theoretical studies into model liquid crystalline system and preferential solvation in binary mixture CGPA: 7.0/8.0 (First division with distinction) Rank: 1 Relevant courses: advanced statistical mechanics, mathematical methods for physics, computers in chemistry etc. 1 of 6

2 B.Sc. (Honours): : Presidency College, Kolkata under University of Calcutta Subjects: Major in Chemistry, with Physics and Mathematics as auxiliary subjects Marks: 75% in Chemistry (First class) University rank: 5 Awards and Distinctions Ramanujan Fellowship ( ), DST, India Burg Postdoctoal Teaching Award (Spring 2011) by the Department of Chemistry, University of Southern California, USA Nominated and sponsored (by Siemens AG) for attending the 59th Meeting of Nobel Laureates in Lindau - dedicated to Chemistry - from 28 June to 3 July 2009 Best poster prize at WATOC 2008 (Eighth Triennial Congress of the World Association of Theoretical and Computational Chemists) (September, 2008) Research Fellowship awarded by Council for Scientific and Industrial Research (CSIR), India ( ) Summer research fellowship (2 months) awarded by Indian Academy of Sciences, Bangalore, India (2002) Best student of the year award on humanitarian grounds from Presidency College, Kolkata (2002) Publications 1. Replica Exchange Molecular Dynamics Study of Dimerization in Prion Protein: Multiple Modes of Interaction and Stabilization, N. Chamachi and S. Chakrabarty*, J. Phys. Chem. B (2016) (Article ASAP). doi: / Exploration of the Presence of Bulk-like Water in AOT Reverse Micelles and Water-in-Oil Nanodroplets: Role of Charged Interface, Confinement Size and Water Properties, V. Hande and S. Chakrabarty*, Phys. Chem. Chem. Phys. (2016) (Advance Article). doi: /C6CP04378J 3. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy, U. K. Nandi, A. Banerjee, S. Chakrabarty and S. M. Bhattacharyya, J. Chem. Phys. 145, (2016). doi: / of 6

3 4. Effect of the Amino Acid L-Histidine on Methane Hydrate Growth Kinetics, G. Bhattacharjee, N. Choudhary, A. Kumar, S. Chakrabarty* and R. Kumar*, Journal of Natural Gas Science & Engineering (2016) (In press). doi: /j.jngse Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins, P. Deb, T. Haldar, S. M. Kashid, S. Banerjee, S. Chakrabarty* and Sayan Bagchi*, J. Phys. Chem. B 120, 4034 (2016). doi: /acs.jpcb.6b Effect of Solvation on Electron Detachment and Excitation Energies of a GFP Chromophore Variant, S. Bose, S. Chakrabarty and Debashree Ghosh, J. Phys. Chem. B 120, 4410 (2016). doi: /acs.jpcb.6b Structural order of water molecules around hydrophobic solutes: Lengthscale dependence and solute-solvent coupling, V. Hande and S. Chakrabarty*, J. Phys. Chem. B 119, (2015). doi: /acs.jpcb.5b Bioactive Polymersomes Self-Assembled from Amphiphilic PPO-GlycoPolypeptides: Synthesis, Characterization, and Dual-Dye Encapsulation, S. Das, D. K. Sharma, S. Chakrabarty, A. Chowdhury and S. Sen Gupta, Langmuir, 31, (2015). doi: /la503993e 9. Modeling gating charge and voltage changes in response to charge separation in membrane proteins, I. Kim, S. Chakrabarty, P. Brzezinski and A. Warshel, Proc. Nat. Acad. Sci. USA 111, (2014). doi: /pnas Interplay between crystallization and glass transition in binary Lennard- Jones mixtures, A. Banerjee, S. Chakrabarty and S. M. Bhattacharyya, J. Chem. Phys. 139, (2013). doi: / Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free- Energy Surfaces, N. V. Plotnikov, B. R. Prasad, S. Chakrabarty, Z. T. Chu and A. Warshel, J. Phys. Chem. B 117, (2013). doi: /jp Capturing the energetics of water insertion in biological systems: The water flooding approach, S. Chakrabarty and A. Warshel, PROTEINS: Structure, Function, and Bioinformatics 81, 93 (2013). doi: /prot of 6

4 13. Realistic simulation of the activation of voltage gated ion channels, A. Dryga, S. Chakrabarty, S. Vicatos and A. Warshel, Proc. Natl. Acad. Sci. U.S.A. 109, 3335 (2012). doi: /pnas Coarse grained model for exploring voltage dependent ion channels, A. Dryga, S. Chakrabarty, S. Vicatos and A. Warshel, Biochimica et Biophysica Acta (BBA) - Biomembranes 1818, 303 (2012). doi: /j.bbamem Proton-transport mechanisms in cytochrome c oxidase revealed by studies of kinetic isotope effects, A. Johansson, S. Chakrabarty, C. L. Berthold, M. Högbom, A. Warshel and P. Brzezinski, Biochimica et Biophysica Acta (BBA) - Bioenergetics 1807, 1083 (2011). doi: /j.bbabio Exploration of the cytochrome c oxidase pathway puzzle and examination of the origin of elusive mutational effects, S. Chakrabarty, I. Namslauer, P. Brzezinski and A. Warshel Biochimica et Biophysica Acta (BBA) - Bioenergetics 1807, 413 (2011). doi: /j.bbabio Anomalous behavior of linear hydrocarbon chains in water-dmso binary mixture at low DMSO concentration, R. Ghosh, S. Banerjee, S. Chakrabarty and B. Bagchi J. Phys. Chem. B 115, 7612 (2011). doi: /jp110549h 18. Temperature dependent free energy surface of polymer folding from equilibrium and quench studies, S. Chakrabarty and B. Bagchi, J. Chem. Phys. 133, (2010). doi: / Self-organization of n-alkane chains in water: length dependent crossover from helix and toroid to molten globule, S. Chakrabarty and B. Bagchi, J. Phys. Chem. B 113, 8446 (2009). doi: /jp Gas-liquid nucleation in a two dimensional system, M. Santra, S. Chakrabarty and B. Bagchi, J. Chem. Phys. 129, (2008). doi: / Reply to comment on Elucidating the mechanism of nucleation near the gas-liquid spinodal, S. Chakrabarty, M. Santra and B. Bagchi, Phys. Rev. Lett. 101, (2008). doi: /PhysRevLett Elucidating the mechanism of nucleation near the gas-liquid spinodal, P. Bhimalapuram, S. Chakrabarty and B. Bagchi, Phys. Rev. Lett. 98, (2007). doi: /PhysRevLett of 6

5 23. Power law relaxation and glassy dynamics in Lebwohl-Lasher model near the isotropic-nematic phase transition, S. Chakrabarty, D. Chakrabarti and B. Bagchi, Phys. Rev. E 73, (2006). doi: /PhysRevE Universal power law in the orientational relaxation in thermotropic liquid crystals, D. Chakrabarti, P. P. Jose, S. Chakrabarty and B. Bagchi, Phys. Rev. Lett. 95, (2005). doi: /PhysRevLett Invited Lectures 1. Symposium on Accelerating Biology 2016: Decoding the Deluge, organized by CDAC, Pune for the duration of 19th-21st January, Talk title: Acceleration of Rare Events: A Free Energy Landscape View of Prion Misfolding 2. International symposium on Multiscale Modeling of Complex Molecules and Life Processes at University of Southern California, USA on November, Talk title: Electrostatic Correlation Map: Towards Structure-Function Correlation and Bimolecular Signaling 3. International symposium on the Dynamics of Complex Chemical and Biological Systems (DCCBS14) at IIT, Kanpur on February, Talk title: Water around hydrophobic solutes: Molecular view of a multi-dimensional problem 4. International symposium on Recent Advances in Modeling Rare Events in Kerala on 29th May 1st June, Talk title: Accelerating rare events: simplified models, enhanced sampling and hardware acceleration 5. Formulated and conducted a three-day workshop on molecular modeling for school children (9th standard onwards) named Moleculoscope: Make them Dance, Make them Fold at the Venture Center, NCL Innovation Park, Pune for the duration of 7th-12th June, Teaching experience 1. Advanced Physical Chemistry (NCL 201) course in CSIR-NCL, Pune for 3 semesters 2. Basic Mathematics and Numerical Methods (NCL 103) course in CSIR- NCL, Pune for 2 semesters 3. Mentored teaching under Burg Postdoctoral Teaching Award (Spring 2011): Advanced graduate course CHEM 599 titled Modeling Biophysical Systems and Processes. Primary course instructor: Prof. Arieh Warshel 5 of 6

6 4. Teaching assistant of the graduate level course IP-SS 201 titled Thermodynamics and Statistical Mechanics, at Solid State and Structural Chemistry Unit, Indian Institute of Science, Bangalore for 3 semesters. Course instructor: Prof. Biman Bagchi 6 of 6