185. C. T. Liu, K. Francis, J. Layfield, X. Huang, S. Hammes-Schiffer, A. Kohen, and S. J. Benkovic, “Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100,” Proc. Natl. Acad. Sci. USA (in press).
84. S. Hammes-Schiffer and J. B. Watney, “Hydride transfer catalyzed by Escherichia coli and Bacillus subtilisdihydrofolate reductase: Coupled motions and distal mutations,” Phil. Trans. R. Soc. B 361, 1365-1373 (2006).
78. J. B. Watney, A. V. Soudackov, K. F. Wong, and S. Hammes-Schiffer, “Calculation of the transition state theory rate constant for a general reaction coordinate: Application to hydride transfer in an enzyme,” Chem. Phys. Lett. 418, 264-267 (2005).
71. K. F. Wong, T. Selzer, S. J. Benkovic, and S. Hammes-Schiffer, “Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase,” Proc. Natl. Acad. Sci. USA102, 6807-6812 (2005).
67. K. F. Wong, J. B. Watney, and S. Hammes-Schiffer, “Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase,” J. Phys. Chem. B 108, 12231-12241 (2004).
49. S. Hammes-Schiffer, “Comparison of hydride, hydrogen atom, and proton-coupled electron transfer reactions,” Chem. Phys. Chem. 3, 33-42 (2002).
48. S. R. Billeter, S. P. Webb, P. K. Agarwal, T. Iordanov, and S. Hammes-Schiffer, “Hydride transfer in liver alcohol dehydrogenase: Quantum dynamics, kinetic isotope effects, and the role of enzyme motion,” J. Am. Chem. Soc. 123, 11262-11272 (2001).
46. S. Hammes-Schiffer and S. R. Billeter, “Hybrid approach for the dynamical simulation of proton and hydride transfer in solution and proteins,” Int. Rev. Phys. Chem. 20, 591-616 (2001).
37. S. P. Webb, P. K. Agarwal, and S. Hammes-Schiffer, “Combining electronic structure methods with the calculation of hydrogen vibrational wavefunctions: Applications to hydride transfer in liver alcohol dehydrogenase,” J. Phys. Chem. B 104, 8884-8894 (2000).
34. P. K. Agarwal, S. P. Webb, and S. Hammes-Schiffer, “Computational studies of the mechanism for proton and hydride transfer in liver alcohol dehydrogenase,” J. Am. Chem. Soc. 122 , 4803-4812 (2000).
John Gamble Kirkwood Professor of Chemistry
Sterling Chemistry Lab, Rm 215
Department of Chemistry
225 Prospect Street
New Haven, CT 06520-8107
Phone: (217) 300-0335
Fax: (217) 244-3186