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2013
N. V. Plotnikoy, B. Prasad, R., Chakrabarty, S., Chu, Z. T., and Warshel, A., “Quantifying the mechanism of phosphate monoester hydrolysis in aqueous solution by evaluating the relevant Ab initio QM/MM free-energy surfaces”, Journal of Physical Chemistry B, vol. 117, no. 42, pp. 12807-12819, 2013.
2014
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.