Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations.

127. D.K. Chakravorty and S. Hammes-Schiffer, “Impact of mutation on proton transfer reactions in ketosteroid isomerase: Insights from molecular dynamics simulations,” J. Am. Chem. Soc. 132, 7549-7555 (2010).