Dihydrofolate reductase

Escherichia coli dihydrofolate reductase catalyzed proton and hydride transfers: Temporal order and the roles of Asp27 and Tyr100

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).

Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase

179. C. T. Liu, J. P. Layfield, R. J. Stewart III, J. B. French, P. Hanoian, J. B. Asbury, S. Hammes-Schiffer, and S. J. Benkovic, “Probing the electrostatics of active site microenvironments along the catalytic cycle for Escherichia coli dihydrofolate reductase,” J. Am. Chem. Soc. 136, 10349-10360 (2014).

Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans

165. C. T. Liu, P. Hanoian,, J. B. French, T. H. Pringle, S. Hammes-Schiffer, and S. J. Benkovic, “Functional significance of evolving protein sequence in dihydrofolate reductase from bacteria to humans,” Proc. Natl. Acad. Sci. USA 110, 10159-10164 (2013).

Dihydrofolate reductase: Hydrogen tunneling and protein motion

92. S. J. Benkovic and S. Hammes-Schiffer, “Dihydrofolate reductase: Hydrogen tunneling and protein motion,” pp. 1439-1454 in Handbook of Hydrogen Transfer. Volume 4: Biological Aspects of Hydrogen Transfer, eds. J.T. Hynes, J.P. Klinman, H.-H. Limbach, and R.L. Schowen (Wiley-VCH, Weinheim, 2007).

Hydride transfer catalyzed by Escherichia coli and Bacillus subtilisdihydrofolate reductase: Coupled motions and distal mutations

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).

Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase

83. J. B. Watney and S. Hammes-Schiffer, “Comparison of coupled motions in Escherichia coli and Bacillus subtilis dihydrofolate reductase,” J. Phys. Chem. B 110, 10130-10138 (2006).

Freezing a single distal motion in dihydrofolate reductase

80. A. Sergi, J. B. Watney, K. F. Wong, and S. Hammes-Schiffer, “Freezing a single distal motion in dihydrofolate reductase,” J. Phys. Chem. B 110, 2435-2441 (2006).

Impact of distal mutations on the network of coupled motions correlated to hydride transfer in dihydrofolate reductase

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).

Analysis of electrostatics and correlated motions for hydride transfer in dihydrofolate reductase

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).

Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase

63. S. Hammes-Schiffer, “Quantum-classical simulation methods for hydrogen transfer in enzymes: A case study of dihydrofolate reductase,” Curr. Opin. Struct. Biol. 14, 192-201 (2004).