Research Group Publications

 
  • Amit Kumawat And Suman Chakrabarty*, Hidden electrostatic basis of dynamic allostery in a PDZ domain, Proc. Nat. Acad. Sci. USA., (In press), (2017), DOI:10.1073/pnas.1705311114.
  • Samik Bose , Suman Chakrabarty* And Debashree Ghosh*, Electrostatic Origin of the Red Solvatochromic Shift of DFHBDI in RNA Spinach, J. Phys. Chem. B., 121, 4790 - 4798 (2017), DOI:10.1021/acs.jpcb.7b02445.
  • Amit Kumawat, Suman Chakrabarty* And Kiran Kulkarni*, Nucleotide Dependent Switching in Rho GTPase: Conformational Heterogeneity and Competing Molecular Interactions, Scientific Reports., 7, 45829 (2017), DOI:10.1038/srep45829.
  • Somnath M. Kashid, Geun Young Jin, Suman Chakrabarty*, Yung Sam Kim* And Sayan Bagchi*, Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics, J. Phys. Chem. Lett., 8, 1604 - 1609 (2017), DOI:10.1021/acs.jpclett.7b00270.
  • Neharika G. Chamachi And Suman Chakrabarty, Temperature-Induced Misfolding in Prion Protein: Evidence of Multiple Partially Disordered States Stabilized by Non-Native Hydrogen Bonds, Biochemistry., 56, 833 - 844 (2017), DOI:10.1021/acs.biochem.6b01042.
  • Reman Kumar Singh, Neharika G. Chamachi, Suman Chakrabarty* And Arnab Mukherjee*, Mechanism of Unfolding of Human Prion Protein, J. Phys. Chem. B., 121, 550 - 564 (2017), DOI:10.1021/acs.jpcb.6b11416.
  • Gaurav Bhattacharjee, Nilesh Choudhary, Asheesh Kumar, Suman Chakrabarty* And Rajnish Kumar*, Effect of the amino acid L-histidine on methane hydrate growth kinetics, Journal of Natural Gas Science and Engineering., 35, 1453 - 1462 (2016), DOI:10.1016/j.jngse.2016.05.052.
  • Neharika G. Chamachi And Suman Chakrabarty*, Replica Exchange Molecular Dynamics Study of Dimerization in Prion Protein: Multiple Modes of Interaction and Stabilization, J. Phys. Chem. B., 120, 7332 - 7345 (2016), DOI:10.1021/acs.jpcb.6b03690.
  • Vrushali R Hande And Suman Chakrabarty*, 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, Physical Chemistry Chemical Physics., 18, 21767 - 21779 (2016), DOI:10.1039/C6CP04378J.
  • Ujjwal Kumar Nandi, Atreyee Banerjee, Suman Chakrabarty And Sarika Maitra Bhattacharyya, Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy, J. Chem. Phys., 145, 034503 (2016), DOI:10.1063/1.4958630.
  • Pranab Deb, Tapas Haldar, Somnath M Kashid, Subhrashis Banerjee, Suman Chakrabarty* And Sayan Bagchi*, Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Noncovalent Interactions of Peptides and Proteins, Journal of Physical Chemistry B., 120, 4034 - 4046 (2016), DOI:10.1021/acs.jpcb.6b02732.
  • Samik Bose, Suman Chakrabarty And Debashree Ghosh, Effect of Solvation on Electron Detachment and Excitation Energies of a GFP Chromophore Variant, Journal of Physical Chemistry B., 120, 4410 - 4420 (2016), DOI:10.1021/acs.jpcb.6b03723.
  • Vrushali Hande And Suman Chakrabarty*, Structural order of water molecules around hydrophobic solutes: Lengthscale dependence and solute-solvent coupling, J. Phys. Chem. B., 119, 11346 - 11357 (2015), DOI:10.1021/acs.jpcb.5b03449.
  • Soumen Das, Dharmendar Kumar Sharma, Suman Chakrabarty, Arindam Chowdhury And Sayam Sen Gupta, Bioactive Polymersomes Self-Assembled from Amphiphilic PPO-GlycoPolypeptides: Synthesis, Characterization, and Dual-Dye Encapsulation, Langmuir., 31, 3402 - 3412 (2015), DOI:10.1021/la503993e.
  • Ilsoo Kim, Suman Chakrabarty, Peter Brzezinski And Arieh Warshel, Modeling gating charge and voltage changes in response to charge separation in membrane proteins, Proc. Nat. Acad. Sci. USA., 111, 11353 - 11358 (2014), DOI:10.1073/pnas.1411573111.
  • Atreyee Banerjee, Suman Chakrabarty And Sarika Maitra Bhattacharyya, Interplay between crystallization and glass transition in binary Lennard-Jones mixtures, J. Chem. Phys., 139, 104501 (2013), DOI:10.1063/1.4820402.
  • Nikolay V. Plotnikov, B. Ram Prasad, Suman Chakrabarty, Zhen T. Chu And Arieh Warshel, Quantifying the Mechanism of Phosphate Monoester Hydrolysis in Aqueous Solution by Evaluating the Relevant Ab Initio QM/MM Free-Energy Surfaces, J. Phys. Chem. B., 117, 12807 (2013), DOI:10.1021/jp4020146.
  • S. Chakrabarty And A. Warshel, Capturing the energetics of water insertion in biological systems: The water flooding approach, PROTEINS: Structure, Function, and Bioinformatics., 81, 93 (2013), DOI:10.1002/prot.24165.
  • A. Dryga, S. Chakrabarty, S. Vicatos And A. Warshel, Realistic simulation of the activation of voltage gated ion channels, Proc. Natl. Acad. Sci. U.S.A., 109, 3335 (2012), DOI:10.1073/pnas.1121094109.
  • A. Dryga, S. Chakrabarty, S. Vicatos And A. Warshel, Coarse grained model for exploring voltage dependent ion channels, Biochim. Biophys. Acta., 1818, 303 (2012), DOI:10.1016/j.bbamem.2011.07.043.
  • A. Johansson, S. Chakrabarty, C. B. Sioberg, M. Hogbom, A. Warshel And P. Brzezinski, Proton-transport Mechanisms in Cytochrome c Oxidase Revealed by Studies of Kinetic Isotope Effects, Biochim. Biophys. Acta., 1807, 1083 (2011), DOI:10.1016/j.bbabio.2011.03.012.
  • S. Chakrabarty, I. Namslauer, P. Brzezinski And A. Warshel, Exploration of the Cytochrome c Oxidase Pathway Puzzle and Examination of the Origin of Elusive Mutational Effects, Biochim. Biophys. Acta., 1807, 413 (2011), DOI:10.1016/j.bbabio.2011.01.004.
  • R. Ghosh, S. Banerjee, S. Chakrabarty And B. Bagchi, Anomalous Behavior of Linear Hydrocarbon Chains in Water-DMSO Binary Mixture at Low DMSO Concentration, J. Phys. Chem. B., 115, 7612 (2011), DOI:10.1021/jp110549h.
  • S. Chakrabarty And B. Bagchi, Temperature dependent free energy surface of polymer folding from equilibrium and quench studies, J. Chem. Phys., 133, 214901 (2010), DOI:10.1063/1.3509398.
  • S. Chakrabarty And B. Bagchi, Self-Organization of n-Alkane Chains in Water: Length Dependent Crossover from Helix and Toroid to Molten Globule, J. Phys. Chem. B., 113, 8446 (2009), DOI:10.1021/jp9034387.
  • M. Santra, S. Chakrabarty And B. Bagchi, Gas-liquid nucleation in two dimensional system, J. Chem. Phys., 129, 234704 (2008), DOI:10.1063/1.3037241.
  • S. Chakrabarty, M. Santra And B. Bagchi, Reply to comment on "Elucidating the mechanism of nucleation near the gas-liquid spinodal", Phys. Rev. Lett., 101, 019602 (2008), DOI:10.1103/PhysRevLett.101.019602.
  • P. Bhimalapuram, S. Chakrabarty And B. Bagchi, Elucidating the mechanism of nucleation near the gas-liquid spinodal, Phys. Rev. Lett., 98, 206104 (2007), DOI:10.1103/PhysRevLett.98.206104.
  • S. Chakrabarty, D. Chakrabarti And B. Bagchi, Power law relaxation and glassy dynamics in Lebwohl-Lasher model near isotropic-nematic phase transition, Phys. Rev. E., 73, 061706 (2006), DOI:10.1103/PhysRevE.73.061706.
  • D. Chakrabarti, P. P. Jose, S. Chakrabarty And B. Bagchi, Universal power law in the orientational relaxation in thermotropic liquid crystals, Phys. Rev. Lett., 95, 197801 (2005), DOI:10.1103/PhysRevLett.95.197801.