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Hydrogen tunneling and protein motion in enzyme reactions

79. S. Hammes-Schiffer, “Hydrogen tunneling and protein motion in enzyme reactions,” Acc. Chem. Res. 39, 93-100 (2006).

Tags: enzyme reactions, hydrogen tunneling, protein motion

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Contact

Sharon Hammes-Schiffer

Professor of Chemistry

Department of Chemistry

Frick Chemistry Laboratory

Princeton University

Princeton, New Jersey 08544

e-mail: shs566@princeton.edu

Tags in Publications

[FeFe]-hydrogenase models [NiFe]-hydrogenase models BLUF catalysis coupled motions Density functional theory treatment Dihydrofolate reductase DNA DNA polymerase electron transfer Electron-proton correlation electrostatics enzyme catalysis Escherichia coli Hartree-Fock HDV ribozyme hydride transfer hydrogen atom transfer hydrogen bonding hydrogen evolution hydrogen tunneling inverted region behavior Ketosteroid Isomerase kinetic isotope effect Liver alcohol dehydrogenase metal ion molecular dynamics molecular electrocatalysts multicomponent density functional theory Nonadiabatic dynamics nonadiabaticity Nuclear quantum effects nuclear-electronic orbital photoinduced proton-coupled electron transfer proton relays Proton transfer proton-coupled electron transfer QM/MM real-time nuclear-electronic orbital reorganization energies ribozyme solvent dynamics Soybean lipoxygenase Surface hopping Vibrational analysis

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Calculation of the transition state theory rate constant for a general reaction...Freezing a single distal motion in dihydrofolate reductase