(Q28239049)

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Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis

scientific article (publication date: May 2006)

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Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis (English)

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Arieh Warshel

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Mats H M Olsson

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1

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William W Parson

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2

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English

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May 2006

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Chemical Reviews

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106

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5

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1737-56

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cites work

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How enzymes work: analysis by modern rate theory and computer simulations

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Conformational effects in enzyme catalysis: QM/MM free energy calculation of the 'NAC' contribution in chorismate mutase

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Enzymes do what is expected (chalcone isomerase versus chorismate mutase).

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Computer simulations of enzymatic reactions: examination of linear free-energy relationships and quantum-mechanical corrections in the initial proton-transfer step of carbonic anhydrase

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How important are entropic contributions to enzyme catalysis?

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Computer simulations with explicit solvent: recent progress in the thermodynamic decomposition of free energies and in modeling electrostatic effects.

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Unmasking of hydrogen tunneling in the horse liver alcohol dehydrogenase reaction by site-directed mutagenesis

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Use of Hydrogen Isotope Effects to Identify the Attacking Nucleophile in the Enolization of Ketones Catalyzed by Acetic Acid1-3

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Nature of hydrogen transfer in soybean lipoxygenase 1: separation of primary and secondary isotope effects

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Theoretical modeling of enzyme catalytic power: analysis of "cratic" and electrostatic factors in catechol O-methyltransferase

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A QM/MM study of the racemization of vinylglycolate catalyzed by mandelate racemase enzyme

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On the generation of catalytic antibodies by transition state analogues.

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Dynamics of the dihydrofolate reductase-folate complex: catalytic sites and regions known to undergo conformational change exhibit diverse dynamical features

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Chemical and Electrochemical Electron-Transfer Theory

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Functional dynamics in the active site of the ribonuclease binase

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Free energy perturbation calculations on binding and catalysis after mutating Asn 155 in subtilisin

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The first experimental test of the hypothesis that enzymes have evolved to enhance hydrogen tunneling

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A link between protein structure and enzyme catalyzed hydrogen tunneling

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The role of dynamics in enzyme activity

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Energetics of enzyme catalysis

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Chemical Dynamics in Solution

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Low-barrier hydrogen bonds and enzymic catalysis

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Direct observation of vibrational coherence in bacterial reaction centers using femtosecond absorption spectroscopy

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Evidence that both protium and deuterium undergo significant tunneling in the reaction catalyzed by bovine serum amine oxidase

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Linkage between dynamics and catalysis in a thermophilic-mesophilic enzyme pair

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Dielectric Relaxation and Solvation Dynamics of Water in Complex Chemical and Biological Systems

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Collective protein dynamics in relation to function

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A perspective on biological catalysis

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Ultrafast surface hydration dynamics and expression of protein functionality: alpha -Chymotrypsin

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Apparent NAC effect in chorismate mutase reflects electrostatic transition state stabilization

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Energy considerations show that low-barrier hydrogen bonds do not offer a catalytic advantage over ordinary hydrogen bonds

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Density-functional investigation on the mechanism of H-atom abstraction by lipoxygenase

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Enzyme dynamics during catalysis

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Mutagenesis of residue 157 in the active site of human glyoxalase I.

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Temperature-dependent isotope effects in soybean lipoxygenase-1: correlating hydrogen tunneling with protein dynamics.

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Deletion of a highly motional residue affects formation of the Michaelis complex for Escherichia coli dihydrofolate reductase

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Quantum mechanical methods for enzyme kinetics

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Combined QM/MM study of the mechanism and kinetic isotope effect of the nucleophilic substitution reaction in haloalkane dehalogenase

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Enzymatic H-transfer requires vibration-driven extreme tunneling

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Dynamics of an enzymatic substitution reaction in haloalkane dehalogenase.

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Large kinetic isotope effects in enzymatic proton transfer and the role of substrate oscillations

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Hydrogen tunneling in biology

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(Q28239049)

Dynamical contributions to enzyme catalysis: critical tests of a popular hypothesis

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