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List of Publications
  • Functionalized single walled carbon nanotubes as template for water storage device, Sanjib Paul and Srabani Taraphder, Chem. Phys. 479, 42-52 (2016).  http://authors.elsevier.com/a/1TmLS14SHoy0Np

  • Coupling Protein Dynamics with Proton Transport in Human Carbonic Anhydrase II, Srabani Taraphder, C. Mark Maupin, Jessica M. J. Swanson, and Gregory A. Voth, J. Phys. Chem. B, 120, 8389-8404 (2016).

  • Identification of Putative Unfolding Intermediates of the Mutant His-107-Tyr of Human Carbonic Anhydrase II in a Multidimensional Property Space, Puspita Halder and Srabani Taraphder, Proteins Structure Function & Bioinformatics, 84, 726-743 (2016).

  • Determination of the Reaction Coordinate for a Key Conformational Fluctuation in Human Carbonic Anhydrase II, J. Phys. Chem. invited article for Biman Bagchi Festschrift, 119, 11403-11415 (2015).

  • Structure and dynamics of water inside endohedrally functionalized carbon nanotubes, Sanjib Paul, T. G. Abi and Srabani Taraphder, J. Chem. Phys. 140, 184511 (2014).

  • Free energies of proton transfer by polar amino acid sidechain analogues anchored to the outer wall of single walled carbon nanotubes, T. G. Abi and Srabani Taraphder, Computational and Theoretical Chemistry, 1027, 19-25 (2014).

  • Proton Affinity of Polar Amino Acid Sidechain Analogues Anchored to the Outer Wall of Single Walled Carbon Nanotubes, T. G. Abi, Tarak Karmakar and Srabani Taraphder, Computational and Theoretical Chemistry, 1010, 53-66 (2013).

  • Modeling the Structure and Proton Transfer Pathways of the Mutant His-107-Tyr of Human Carbonic Anhydrase II, Puspita Halder and Srabani Taraphder, J. Mol. Model. 19, 289-198 (2013).

  • Proton Transfer Reactions in Carbon Nanotubes Endohedrally Functionalized with Selected Polar Amino Acid Sidechains, T. G. Abi and Srabani Taraphder, Chem. Phys. 405, 107-116 (2012).

  • Understanding Proton Affinity of Tyrosine Sidechain in Hydrophobic Confinement, T. G. Abi, Tarak Karmakar and Srabani Taraphder, Invited article, J. Chem. Sci. (Special Issue), 124, 59-63 (2012).

  • Chemical Rescue of Enzymes: Proton Transfer in Mutants of Human Carbonic Anhydrase II, C. Mark Maupin, Norberto Castillo, Srabani Taraphder, Chingkuang Tu, Robert McKenna, David N. Silverman and Gregory A. Voth, J. Am. Chem. Soc. 133, 6223-6234 (2011).

  • Role of Protein Motions on Proton Transfer Pathways in Human Carbonic Anhydrase II, Arijit Roy and Srabani Taraphder, Biochim. Biophys. Acta Proteins & Proteomics, Special issue on Carbonic Anhydrase and Superoxide  Dismutase, 1804, 351-361 (2010). [invited article]

  • Transition Path Sampling Study of the Conformational Fluctuation of His-64 in Human Carbonic Anhydrase II, Arijit Roy and  Srabani Taraphder, J. Phys. Chem. B. 113, 12555-12564 (2009).

  • Proton Affinities of Some Amino Acid Side Chains in a Restricted Environment, T.G. Abi, Amit Anand and Srabani Taraphder, J. Phys. Chem. B. 113, 9570-9576 (2009).

  • Free energies of supercritical solvation from molecular dynamics simulation and integral equation studies, Tapas R. Kunor and Srabani Taraphder, Physica A, 388, 1491-1499 (2009).

  • A Theoretical Study on the Detection of Proton Transfer Pathways in Some Mutants of Human Carbonic Anhydrase II, Arijit Roy and Srabani Taraphder, J. Phys. Chem. B, 112, 13597 (2008) [Highlighted research article in Nature India, Oct. 2008, doi:10.1038/nindia.2008.301].

  • Identification of Proton-Transfer Pathways in Human Carbonic Anhydrase II, Arijit Roy and Srabani Taraphder, J. Phys. Chem. B, 111, 10563 (2007).

  • Effect of Electrostatic Interactions on the Formation of Proton transfer pathways in Human Carbonic Anhydrase II, Arijit Roy and Srabani Taraphder, J. Chem. Sci. (Special Issue), 119, 545 (2007).

  • Equilibrium Correlations and Thermodynamics in Low Density Supercritical Lennard-Jones Fluids, Tapas R. Kunor and Srabani Taraphder, Physica A, 383, 401 (2007).

  • Bridge Functions near the Liquid-vapor Coexistence Curve in Binary Lennard-Jones Mixtures, Tapas R. Kunor and Srabani Taraphder, Phys. Rev. E 74, 011201 (2006).

  • Proton Transfer Pathways in the Mutant His-64–Ala of Human Carbonic Anhydrase II, Arijit Roy and Srabani Taraphder, Biopolymers, 82, 623 (2006) [Cover page article].

  • Molecular Dynamics Study of the Density and Temperature Dependence of  Bridge Functions in Normal and Supercritical Lennard-Jones Fluids, Tapas R. Kunor and Srabani Taraphder, Phys. Rev. E, 72, 031201 (2005).

  • Fluid Phase Diagrams of Binary Mixtures from Constant Pressure Integral Equations, Giorgio Pastore, Robert Santin, Srabani Taraphder and F. Colonna, J. Chem. Phys. 122, Art. No. 181104 (2005).

  • Protein Side-Chain Motion and Hydration in Proton Transfer Pathways.  Results for Cytochrome P450cam, Srabani Taraphder and Gerhard Hummer, J. Am. Chem. Soc. 125, 3931-3940 (2003).

  • Dynamic Proton Transfer Pathways in Proteins: Role of Sidechain Conformational Fluctuations, Srabani Taraphder and Gerhard Hummer, Physica A, 318, 293-301 (2003).

  • A Molecular Theory for the Rank Dependence of Orientational Relaxation in Brownian Dipolar Lattice, Srabani Taraphder, J. Chem. Phys. 109, 4948-4959 (1998).

  • Anomalous Ion Diffusion in Dense Dipolar Liquids, Ranjit Biswas, Srabani Roy and Biman Bagchi, Phys. Rev. Lett. 75, 1098-1101 (1995). [ Erratum: ibid, 76, 556 (1996).]

  • Ionic And Dipolar Solvation Dynamics in Liquid Water, Nilashis Nandi, Srabani Roy and Biman Bagchi, Proc. Indian Acad. Sci. (Chem. Sci.), 106, 1297-1306 (1995).

  • Collective Effects on Single-Particle Orientational Relaxation in Slow Dipolar Liquids, S. Ravichandran, Srabani Roy and Biman Bagchi, J. Phys. Chem. 99, 2489-2501 (1995).

  • Adiabatic and Nonadiabatic Outersphere Electron Transfer Reactions in Methanol - Effects of the Ultrafast Solvent Polarization Modes, Srabani Roy and Biman Bagchi, J. Chem. Phys. 102, 6719-6726 (1995).

  • Effects of Solvent Polarization Relaxation on Nonadiabatic Outersphere Electron Transfer Reactions in Ultrafast Dipolar Solvents, Srabani Roy and Biman Bagchi, J. Chem. Phys. 102, 7937-7944 (1995).

  • Dielectric Relaxation in Dipolar Solid Rotator Phases, G. V. Vijayadamodar, Snehasudha  Komath, Srabani Roy and Biman Bagchi, Phase Transitions, 50, 21 (1994).

  • Ultrafast Solvation Dynamics in Water - Isotope Effects and Comparison with Experimental Results, Nilashis Nandi, Srabani Roy and Biman Bagchi, J. Chem. Phys. 102, 1390-1397 (1994).

  • Effects of Ultrafast Solvation on The Rate of Adiabatic Outer- Sphere Electron-Transfer Reactions, Srabani Roy and Biman Bagchi, J. Phys. Chem. 98, 9207-9215 (1994).

  • Microscopic Theory of Ion Solvation Dynamics in Liquid Methanol, Srabani Roy and Biman Bagchi, J. Chem. Phys. 101, 4150-4155 (1994).

  • Time-Dependent Solution of Generalized Zusman Model of Outersphere Electron-Transfer Reactions - Applications to Various Experimental Situations, Srabani Roy and Biman Bagchi, J. Chem. Phys. 100, 8802-8816 (1994).

  • Solvation Dynamics, Energy-Distribution and Trapping of a Light Solute Ion, Srabani Roy and Biman Bagchi, Chem. Phys. 183, 207-216 (1994).

  • Molecular Theory of Ion Solvation Dynamics in Water, Acetonitrile and methanol - A Unified Microscopic Description of Collective Dynamics in Dipolar Liquids, Srabani Roy and Biman Bagchi, Proc. Indian Acad. Sci. (Chem. Sci.), 105, 295-301 (1993).

  • Dielectric Friction and Solvation Dynamics - Novel Results on Relaxation in Dipolar Liquids, Srabani Roy, Snehasudha Komath and Biman Bagchi, Proc. Indian Acad. Sci. (Chem. Sci.) (Rapid Communication), 105, 79-85 (1993).

  • Ultrafast Solvation from Kerr Relaxation and Far-Infrared Spectroscopy in Underdamped Dipolar Liquids, Biman  Bagchi and Srabani Roy, in Ultrafast Chemical Reactions and Solvent Effects, Ed. Y. Gauduel and P. J. Rossky (American Institute of Physics, New York, 1993), p. 296.

  • Solvation Dynamics In Liquid Water - A Novel Interplay Between Librational And Diffusive Modes, Srabani Roy and Biman Bagchi, J. Chem.Phys. 99, 9938 (1993).

  • Molecular Theory Of Ultrafast Solvation In Liquid Acetonitrile, Srabani Roy, Snehasudha Komath and Biman Bagchi, J. Chem. Phys. (Rapid Communications),  99, 3139 (1993).

  • Ultrafast Underdamped Solvation: Agreement Between Computer Simulations And Various Theories Of Solvation Dynamics, Srabani Roy and Biman Bagchi, J. Chem. Phys. 99, 1310-1319 (1993).

 

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