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Suman Chakrabarty, PhD - Publications

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 systems
Website:
http://www.namusite.com
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35 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Mitra S, Sil A, Biswas R, Chakrabarty S. 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. PMID 36780537 DOI: 10.1021/acs.jpclett.2c03126  0.483
2023 Tadepalli KM, Chakrabarty S, Patil P, Kumar R. Design of CO Thickeners and Role of Aromatic Rings in Enhanced Oil Recovery Using Molecular Dynamics. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 36628525 DOI: 10.1021/acs.langmuir.2c02477  0.395
2021 Santra M, Seal A, Bhattacharjee K, Chakrabarty S. Structural and dynamical heterogeneity of water trapped inside Na-pumping KR2 rhodopsin in the dark state. The Journal of Chemical Physics. 154: 215101. PMID 34240976 DOI: 10.1063/5.0044904  0.718
2019 Choudhary N, Chakrabarty S, Roy S, Kumar R. A comparison of different water models for melting point calculation of methane hydrate using molecular dynamics simulations Chemical Physics. 516: 6-14. DOI: 10.1016/J.Chemphys.2018.08.036  0.769
2018 Choudhary N, Hande VR, Roy S, Chakrabarty S, Kumar R. Effect of SDS Surfactant on Methane Hydrate Formation: A Molecular Dynamics Study. The Journal of Physical Chemistry. B. PMID 29882664 DOI: 10.1021/Acs.Jpcb.8B02285  0.76
2018 Sharma P, Chakrabarty S, Roy S, Kumar R. Molecular View of CO Capture by Polyethylenimine: Role of Structural and Dynamical Heterogeneity. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 29641903 DOI: 10.1021/Acs.Langmuir.8B00204  0.701
2017 Kumawat A, Chakrabarty S. Hidden electrostatic basis of dynamic allostery in a PDZ domain. Proceedings of the National Academy of Sciences of the United States of America. PMID 28634294 DOI: 10.1073/Pnas.1705311114  0.336
2017 Kumawat A, Chakrabarty S, Kulkarni K. Nucleotide Dependent Switching in Rho GTPase: Conformational Heterogeneity and Competing Molecular Interactions. Scientific Reports. 7: 45829. PMID 28374773 DOI: 10.1038/Srep45829  0.327
2017 Kashid SM, Jin GY, Chakrabarty S, Kim YS, Bagchi S. Two-Dimensional Infrared Spectroscopy Reveals Cosolvent-Composition-Dependent Crossover in Intermolecular Hydrogen-Bond Dynamics. The Journal of Physical Chemistry Letters. PMID 28326785 DOI: 10.1021/Acs.Jpclett.7B00270  0.369
2017 Chamachi NG, Chakrabarty S. Temperature Induced Misfolding in Prion Protein: Evidences of Multiple Partially Disordered States Stabilized by Non-native Hydrogen Bonds. Biochemistry. PMID 28102071 DOI: 10.1021/Acs.Biochem.6B01042  0.339
2017 Choudhary N, Kushwaha OS, Bhattacharjee G, Chakrabarty S, Kumar R. Molecular Dynamics Simulation and Experimental Study on the Growth of Methane Hydrate in Presence of Methanol and Sodium Chloride Energy Procedia. 105: 5026-5033. DOI: 10.1016/J.Egypro.2017.03.1008  0.699
2016 Singh RK, Chamachi NG, Chakrabarty S, Mukherjee A. Mechanism of Unfolding of Human Prion Protein. The Journal of Physical Chemistry. B. PMID 28030950 DOI: 10.1021/Acs.Jpcb.6B11416  0.572
2016 Nandi UK, Banerjee A, Chakrabarty S, Bhattacharyya SM. Composition dependence of the glass forming ability in binary mixtures: The role of demixing entropy. The Journal of Chemical Physics. 145: 034503. PMID 27448892 DOI: 10.1063/1.4958630  0.689
2016 Hande VR, Chakrabarty S. Exploration of the presence of bulk-like water in AOT reverse micelles and water-in-oil nanodroplets: the role of charged interfaces, confinement size and properties of water. Physical Chemistry Chemical Physics : Pccp. PMID 27435512 DOI: 10.1039/C6Cp04378J  0.377
2016 Chamachi NG, Chakrabarty S. Replica Exchange Molecular Dynamics Study of Dimerization in Prion Protein: Multiple Modes of Interaction and Stabilization. The Journal of Physical Chemistry. B. PMID 27390876 DOI: 10.1021/Acs.Jpcb.6B03690  0.353
2016 Bose S, Chakrabarty S, Ghosh D. Effect of Solvation on Electron Detachment and Excitation Energies of a GFP Chromophore Variant. The Journal of Physical Chemistry. B. PMID 27116477 DOI: 10.1021/Acs.Jpcb.6B03723  0.311
2016 Deb P, Haldar T, Kashid SM, Banerjee S, Chakrabarty S, Bagchi S. Correlating Nitrile IR Frequencies to Local Electrostatics Quantifies Non-Covalent Interactions of Peptides and Proteins. The Journal of Physical Chemistry. B. PMID 27090068 DOI: 10.1021/Acs.Jpcb.6B02732  0.3
2016 Bhattacharjee G, Choudhary N, Kumar A, Chakrabarty S, Kumar R. Effect of the amino acid l-histidine on methane hydrate growth kinetics Journal of Natural Gas Science and Engineering. 35: 1453-1462. DOI: 10.1016/J.Jngse.2016.05.052  0.674
2015 Hande VR, Chakrabarty S. Structural Order of Water Molecules around Hydrophobic Solutes: Length-Scale Dependence and Solute-Solvent Coupling. The Journal of Physical Chemistry. B. 119: 11346-57. PMID 26039676 DOI: 10.1021/Acs.Jpcb.5B03449  0.362
2014 Kim I, Chakrabarty S, Brzezinski P, Warshel A. Modeling gating charge and voltage changes in response to charge separation in membrane proteins. Proceedings of the National Academy of Sciences of the United States of America. 111: 11353-8. PMID 25049404 DOI: 10.1073/Pnas.1411573111  0.625
2013 Banerjee A, Chakrabarty S, Bhattacharyya SM. Interplay between crystallization and glass transition in binary Lennard-Jones mixtures. The Journal of Chemical Physics. 139: 104501. PMID 24050353 DOI: 10.1063/1.4820402  0.666
2013 Plotnikov NV, Prasad BR, Chakrabarty S, Chu ZT, Warshel A. Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant ab initio QM/MM free-energy surfaces. The Journal of Physical Chemistry. B. 117: 12807-19. PMID 23601038 DOI: 10.1021/Jp4020146  0.735
2013 Chakrabarty S, Warshel A. Capturing the energetics of water insertion in biological systems: the water flooding approach. Proteins. 81: 93-106. PMID 22911614 DOI: 10.1002/Prot.24165  0.545
2012 Dryga A, Chakrabarty S, Vicatos S, Warshel A. Realistic simulation of the activation of voltage-gated ion channels. Proceedings of the National Academy of Sciences of the United States of America. 109: 3335-40. PMID 22331900 DOI: 10.1073/Pnas.1121094109  0.74
2012 Dryga A, Chakrabarty S, Vicatos S, Warshel A. Coarse grained model for exploring voltage dependent ion channels. Biochimica Et Biophysica Acta. 1818: 303-17. PMID 21843502 DOI: 10.1016/J.Bbamem.2011.07.043  0.741
2011 Ghosh R, Banerjee S, Chakrabarty S, Bagchi B. Anomalous behavior of linear hydrocarbon chains in water-DMSO binary mixture at low DMSO concentration. The Journal of Physical Chemistry. B. 115: 7612-20. PMID 21591704 DOI: 10.1021/Jp110549H  0.513
2011 Johansson AL, Chakrabarty S, Berthold CL, Högbom M, Warshel A, Brzezinski P. Proton-transport mechanisms in cytochrome c oxidase revealed by studies of kinetic isotope effects. Biochimica Et Biophysica Acta. 1807: 1083-94. PMID 21463601 DOI: 10.1016/J.Bbabio.2011.03.012  0.481
2011 Chakrabarty S, Namslauer I, Brzezinski P, Warshel A. Exploration of the cytochrome c oxidase pathway puzzle and examination of the origin of elusive mutational effects. Biochimica Et Biophysica Acta. 1807: 413-26. PMID 21232525 DOI: 10.1016/J.Bbabio.2011.01.004  0.502
2010 Chakrabarty S, Bagchi B. Temperature dependent free energy surface of polymer folding from equilibrium and quench studies. The Journal of Chemical Physics. 133: 214901. PMID 21142312 DOI: 10.1063/1.3509398  0.525
2009 Chakrabarty S, Bagchi B. Self-organization of n-alkane chains in water: length dependent crossover from helix and toroid to molten globule. The Journal of Physical Chemistry. B. 113: 8446-8. PMID 19485315 DOI: 10.1021/Jp9034387  0.509
2008 Santra M, Chakrabarty S, Bagchi B. Gas-liquid nucleation in a two dimensional system. The Journal of Chemical Physics. 129: 234704. PMID 19102549 DOI: 10.1063/1.3037241  0.678
2008 Chakrabarty S, Santra M, Bagchi B. Chakrabarty, Santra, and Bagchi Reply: Physical Review Letters. 101. DOI: 10.1103/Physrevlett.101.019602  0.587
2007 Bhimalapuram P, Chakrabarty S, Bagchi B. Elucidating the mechanism of nucleation near the gas-liquid spinodal. Physical Review Letters. 98: 206104. PMID 17677713 DOI: 10.1103/Physrevlett.98.206104  0.512
2006 Chakrabarty S, Chakrabarti D, Bagchi B. Power law relaxation and glassy dynamics in Lebwohl-Lasher model near the isotropic-nematic phase transition. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 73: 061706. PMID 16906848 DOI: 10.1103/Physreve.73.061706  0.726
2005 Chakrabarti D, Jose PP, Chakrabarty S, Bagchi B. Universal power law in the orientational relaxation in thermotropic liquid crystals. Physical Review Letters. 95: 197801. PMID 16384024 DOI: 10.1103/Physrevlett.95.197801  0.723
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