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I. Kim, Chakrabarty, S., Brzezinski, P., and 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, vol. 111, no. 31, pp. 11353-11358, 2014.
U. Kumar Nandi, Banerjee, A., Chakrabarty, S., and Bhattacharyya, S. Maitra, Composition dependence of the glass forming ability in binary mixtures: the role of demixing entropy, Journal of Chemical Physics, vol. 145, no. 3, p. Article Number: 034503, 2016.
P. Deb, Haldar, T., Kashid, S. M., Banerjee, S., Chakrabarty, S., and Bagchi, S., Correlating Nitrile IR frequencies to local electrostatics quantifies noncovalent interactions of peptides and proteins, Journal of Physical Chemistry B, vol. 120, no. 17, pp. 4034-4046, 2016.
S. Bose, Chakrabarty, S., and Ghosh, D., Effect of solvation on electron detachment and excitation energies of a green fluorescent protein chromophore variant, Journal of Physical Chemistry B, vol. 120, no. 19, pp. 4410-4420, 2016.
G. Bhattacharjee, Choudhary, N., Kumar, A., Chakrabarty, S., and Kumar, R., Effect of the amino acid L-histidine on methane hydrate growth kinetics, Journal of Natural Gas Science and Engineering, vol. 35, pp. 1453-1462, 2016.
V. R. Hande and 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, vol. 18, no. 31, pp. 21767-21779, 2016.
N. G. Chamachi and Chakrabarty, S., Replica exchange molecular dynamics study of dimerization in prion protein: multiple modes of interaction and stabilization, Journal of Physical Chemistry B, vol. 120, no. 30, pp. 7332-7345, 2016.