Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions
about
CHARMM: the biomolecular simulation programAllosteric activation transitions in enzymes and biomolecular motors: insights from atomistic and coarse-grained simulationsDifferential quantum tunneling contributions in nitroalkane oxidase catalyzed and the uncatalyzed proton transfer reactionA Remote Mutation Affects the Hydride Transfer by Disrupting Concerted Protein Motions in Thymidylate SynthaseThe importance of ensemble averaging in enzyme kineticsDoes the pressure dependence of kinetic isotope effects report usefully on dynamics in enzyme H-transfer reactions?Studying the role of protein dynamics in an SN2 enzyme reaction using free-energy surfaces and solvent coordinates.Perspective on Diabatic Models of Chemical Reactivity as Illustrated by the Gas-Phase S(N)2 Reaction of Acetate Ion with 1,2-DichloroethaneHow Accurate Are Transition States from Simulations of Enzymatic Reactions?Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water.A two-state reactivity model explains unusual kinetic isotope effect patterns in C-H bond cleavage by nonheme oxoiron(IV) complexes.Importance of protein dynamics during enzymatic C-H bond cleavage catalysis.A delocalized proton-binding site within a membrane proteinElusive transition state of alcohol dehydrogenase unveiled.Oxidation reactions performed by soluble methane monooxygenase hydroxylase intermediates H(peroxo) and Q proceed by distinct mechanismsTaking Ockham's razor to enzyme dynamics and catalysis.Mechanism of the Swern oxidation: significant deviations from transition state theory.Kinetic isotope effects in asymmetric reactionsContrasting the individual reactive pathways in protein unfolding and disulfide bond reduction observed within a single protein.Theoretical analysis of the unusual temperature dependence of the kinetic isotope effect in quinol oxidation.Protein Conformational Landscapes and Catalysis. Influence of Active Site Conformations in the Reaction Catalyzed by L-Lactate DehydrogenaseCoordinated effects of distal mutations on environmentally coupled tunneling in dihydrofolate reductase.Isotope effects as probes for enzyme catalyzed hydrogen-transfer reactions.Direct quantification of the attempt frequency determining the mechanical unfolding of ubiquitin proteinDynamics and dissipation in enzyme catalysisKinetic effects of increased proton transfer distance on proton-coupled oxidations of phenol-amines.Mechanisms and free energies of enzymatic reactions.Coupling of hydrogenic tunneling to active-site motion in the hydrogen radical transfer catalyzed by a coenzyme B12-dependent mutase.Transition state theory for enzyme kinetics.The influence of active site conformations on the hydride transfer step of the thymidylate synthase reaction mechanismAnalysis of Hydrogen Tunneling in an Enzyme Active Site using von Neumann MeasurementsThe Third Dimension of a More O'Ferrall-Jencks Diagram for Hydrogen Atom Transfer in the Isoelectronic Hydrogen Exchange Reactions of (PhX)(2)H(•) with X = O, NH, and CH(2).Gauging the flexibility of the active site in soybean lipoxygenase-1 (SLO-1) through an atom-centered density matrix propagation (ADMP) treatment that facilitates the sampling of rare events.Remote mutations and active site dynamics correlate with catalytic properties of purine nucleoside phosphorylase.Molecular dynamics simulations of the catalytic pathway of a cysteine protease: a combined QM/MM study of human cathepsin K.Inverse Temperature Dependence of Nuclear Quantum Effects in DNA Base Pairs.Computation of kinetic isotope effects for enzymatic reactions.Connecting protein conformational dynamics with catalytic function as illustrated in dihydrofolate reductase.Molecular dynamics simulations of the intramolecular proton transfer and carbanion stabilization in the pyridoxal 5'-phosphate dependent enzymes L-dopa decarboxylase and alanine racemase.Unraveling the role of protein dynamics in dihydrofolate reductase catalysis
P2860
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P2860
Multidimensional tunneling, recrossing, and the transmission coefficient for enzymatic reactions
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年論文
@yue
2006年論文
@zh-hant
2006年論文
@zh-hk
2006年論文
@zh-mo
2006年論文
@zh-tw
2006年论文
@wuu
2006年论文
@zh
2006年论文
@zh-cn
name
Multidimensional tunneling, re ...... icient for enzymatic reactions
@ast
Multidimensional tunneling, re ...... icient for enzymatic reactions
@en
type
label
Multidimensional tunneling, re ...... icient for enzymatic reactions
@ast
Multidimensional tunneling, re ...... icient for enzymatic reactions
@en
prefLabel
Multidimensional tunneling, re ...... icient for enzymatic reactions
@ast
Multidimensional tunneling, re ...... icient for enzymatic reactions
@en
P2860
P356
P1433
P1476
Multidimensional tunneling, re ...... icient for enzymatic reactions
@en
P2093
P2860
P304
P356
10.1021/CR050308E
P577
2006-08-01T00:00:00Z