Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II.
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A Short, Strong Hydrogen Bond in the Active Site of Human Carbonic Anhydrase IINMR studies of active-site properties of human carbonic anhydrase II by using (15) N-labeled 4-methylimidazole as a local probe and histidine hydrogen-bond correlations.Tautomerism of histidine 64 associated with proton transfer in catalysis of carbonic anhydrase.Proton transport in carbonic anhydrase: Insights from molecular simulation.Intrinsic proton-donating power of zinc-bound water in a carbonic anhydrase active site model estimated by NMR.Effects of external electric fields on double proton transfer kinetics in the formic acid dimer.Chemical rescue of enzymes: proton transfer in mutants of human carbonic anhydrase II.Water-assisted proton transfer in ferredoxin ISmall temperature dependence of the kinetic isotope effect for the hydride transfer reaction catalyzed by Escherichia coli dihydrofolate reductase.Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactionsCombined quantum mechanical and molecular mechanical simulations of one- and two-electron reduction potentials of flavin cofactor in water, medium-chain acyl-CoA dehydrogenase, and cholesterol oxidase"Proton holes" in long-range proton transfer reactions in solution and enzymes: A theoretical analysis.Carbonic anhydrase as a model for biophysical and physical-organic studies of proteins and protein-ligand binding.Quantum tunneling during interstellar surface-catalyzed formation of water: the reaction H + H2O2 → H2O + OH.Formation of the prebiotic molecule NH2CHO on astronomical amorphous solid water surfaces: accurate tunneling rate calculations.Transition state theory can be used in studies of enzyme catalysis: lessons from simulations of tunnelling and dynamical effects in lipoxygenase and other systems.Solvent and Temperature Probes of the Long-Range Electron-Transfer Step in Tyramine β-Monooxygenase: Demonstration of a Long-Range Proton-Coupled Electron-Transfer Mechanism.A Benchmark Test Suite for Proton Transfer Energies and its Use to Test Electronic Structure Model Chemistries.A model proton-transfer system in the condensed phase: NH4(+)OOH(-), a crystal with short intermolecular H-bonds.Path length determines the tunneling decay of substituted carbenes.Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene.Quantum-instanton evaluation of the kinetic isotope effects.Catalytic activity of a ζ-class zinc and cadmium containing carbonic anhydrase. Compared work mechanisms.Comparison of classical reaction paths and tunneling paths studied with the semiclassical instanton theory.Rate constants from instanton theory via a microcanonical approach.Instanton rate constant calculations close to and above the crossover temperature.Direct observation of single-molecule hydrogen-bond dynamics with single-bond resolution.Correlated proton motion in hydrogen bonded systems: tuning proton affinities.Reaction rates and kinetic isotope effects of H2 + OH → H2O + H.
P2860
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P2860
Kinetic isotope effects for concerted multiple proton transfer: a direct dynamics study of an active-site model of carbonic anhydrase II.
description
2003 nî lūn-bûn
@nan
2003年の論文
@ja
2003年学术文章
@wuu
2003年学术文章
@zh-cn
2003年学术文章
@zh-hans
2003年学术文章
@zh-my
2003年学术文章
@zh-sg
2003年學術文章
@yue
2003年學術文章
@zh
2003年學術文章
@zh-hant
name
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@en
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@nl
type
label
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@en
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@nl
prefLabel
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@en
Kinetic isotope effects for co ...... odel of carbonic anhydrase II.
@nl
P2093
P356
P1476
Kinetic isotope effects for co ...... model of carbonic anhydrase II
@en
P2093
Willem Siebrand
Zorka Smedarchina
P304
P356
10.1021/JA0210594
P407
P577
2003-01-01T00:00:00Z