(Q35590769)

9 August 2017

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title

Catalysis and specificity in enzymes: a study of triosephosphate isomerase and comparison with methyl glyoxal synthase (English)

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9 August 2017

2

Martin Karplus

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9 August 2017

Qiang Cui

1

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9 August 2017

publication date

1 January 2003

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Advances in Protein Chemistry

9 August 2017

published in

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9 August 2017

volume

66

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9 August 2017

page(s)

315-372

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Simple model for the effect of Glu165----Asp165 mutation on the rate of catalysis in triose phosphate isomerase

9 August 2017

cites work

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7 January 2021

Free-energy profile of the reaction catalyzed by triosephosphate isomerase

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7 January 2021

Deuterium and tritium exchange in enzyme kinetics

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7 January 2021

Quantum Mechanical Dynamical Effects in an Enzyme-Catalyzed Proton Transfer Reaction

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7 January 2021

Contribution of phosphate intrinsic binding energy to the enzymatic rate acceleration for triosephosphate isomerase

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7 January 2021

Secondary H/T and D/T isotope effects in enzymatic enolization reactions. Coupled motion and tunneling in the triosephosphate isomerase reaction

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7 January 2021

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

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7 January 2021

Simulation of enzyme reactions using valence bond force fields and other hybrid quantum/classical approaches

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7 January 2021

Computer simulation of the triosephosphate isomerase catalyzed reaction

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7 January 2021

A link between protein structure and enzyme catalyzed hydrogen tunneling

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7 January 2021

Computer simulation and analysis of the reaction pathway of triosephosphate isomerase

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7 January 2021

Direct observation of substrate distortion by triosephosphate isomerase using Fourier transform infrared spectroscopy

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7 January 2021

Hydride transfer in liver alcohol dehydrogenase: quantum dynamics, kinetic isotope effects, and role of enzyme motion

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7 January 2021

Design, creation, and characterization of a stable, monomeric triosephosphate isomerase

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7 January 2021

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

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7 January 2021

Solvent effects on protein motion and protein effects on solvent motion. Dynamics of the active site region of lysozyme

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7 January 2021

The biochemistry of the complications of diabetes mellitus

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7 January 2021

Statistical mechanics of isomerization dynamics in liquids and the transition state approximation

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7 January 2021

Interpolated Variational Transition-State Theory by Mapping

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7 January 2021

The low barrier hydrogen bond in enzymatic catalysis.

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7 January 2021

Triosephosphate isomerase: a theoretical comparison of alternative pathways

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7 January 2021

Quantum mechanics/molecular mechanics studies of triosephosphate isomerase-catalyzed reactions: effect of geometry and tunneling on proton-transfer rate constants

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7 January 2021

Structure of the triosephosphate isomerase-phosphoglycolohydroxamate complex: an analogue of the intermediate on the reaction pathway

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7 January 2021

The loop opening/closing motion of the enzyme triosephosphate isomerase

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7 January 2021

Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model

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7 January 2021

A combined quantum mechanical and molecular mechanical potential for molecular dynamics simulations

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7 January 2021

Analysis of protein loop closure

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7 January 2021

Structural mechanisms for domain movements in proteins

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7 January 2021

Uncatalyzed rates of enolization of dihydroxyacetone phosphate and of glyceraldehyde 3-phosphate in neutral aqueous solution. Quantitative assessment of the effectiveness of an enzyme catalyst

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7 January 2021

NMR studies of the role of hydrogen bonding in the mechanism of triosephosphate isomerase

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7 January 2021

Proton transfer in the mechanism of triosephosphate isomerase

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7 January 2021

Energetics of triosephosphate isomerase: the fate of the 1(R)-3H label of tritiated dihydroxyacetone phsophate in the isomerase reaction

1 reference

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7 January 2021

Anatomy of a conformational change: hinged "lid" motion of the triosephosphate isomerase loop.

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7 January 2021

Crystal structure of the mutant yeast triosephosphate isomerase in which the catalytic base glutamic acid 165 is changed to aspartic acid

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7 January 2021

Use of a minimum perturbation approach to predict TIM mutant structures

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7 January 2021

Optimal alignment for enzymatic proton transfer: structure of the Michaelis complex of triosephosphate isomerase at 1.2-A resolution.

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7 January 2021

Enzyme catalysis: not different, just better

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7 January 2021

Enzyme Catalysis: Beyond Classical Paradigms†

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7 January 2021

Electrophilic catalysis in triosephosphate isomerase: the role of histidine-95

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7 January 2021

Structural determinants for ligand binding and catalysis of triosephosphate isomerase

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7 January 2021

Neutral imidazole is the electrophile in the reaction catalyzed by triosephosphate isomerase: structural origins and catalytic implications

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7 January 2021

Triosephosphate isomerase requires a positively charged active site: the role of lysine-12

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7 January 2021

Structure of yeast triosephosphate isomerase at 1.9-A resolution

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7 January 2021

All-atom empirical potential for molecular modeling and dynamics studies of proteins

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7 January 2021

Mechanistic implications of methylglyoxal synthase complexed with phosphoglycolohydroxamic acid as observed by X-ray crystallography and NMR spectroscopy

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7 January 2021

Triosephosphate isomerase: removal of a putatively electrophilic histidine residue results in a subtle change in catalytic mechanism

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7 January 2021

Stabilization of a reaction intermediate as a catalytic device: definition of the functional role of the flexible loop in triosephosphate isomerase.

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7 January 2021

Combination of theoretical ab initio and experimental information to obtain reliable harmonic force constants. Scaled quantum mechanical (QM) force fields for glyoxal, acrolein, butadiene, formaldehyde, and ethylene

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7 January 2021

Frontier Bonds in QM/MM Methods: A Comparison of Different Approaches

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7 January 2021

Kinetic parameters for the elimination reaction catalyzed by triosephosphate isomerase and an estimation of the reaction's physiological significance

1 reference

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7 January 2021

The time scale of the catalytic loop motion in triosephosphate isomerase

1 reference

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7 January 2021

Solution-state NMR investigations of triosephosphate isomerase active site loop motion: ligand release in relation to active site loop dynamics

1 reference

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7 January 2021

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1 reference

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7 January 2021

Identification of catalytic bases in the active site of Escherichia coli methylglyoxal synthase: cloning, expression, and functional characterization of conserved aspartic acid residues

1 reference

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7 January 2021

Mirroring perfection: the structure of methylglyoxal synthase complexed with the competitive inhibitor 2-phosphoglycolate

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7 January 2021

Current Status of Transition-State Theory

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7 January 2021

Quantum mechanical methods for enzyme kinetics

1 reference

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7 January 2021

Gating of the active site of triose phosphate isomerase: Brownian dynamics simulations of flexible peptide loops in the enzyme

1 reference

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7 January 2021

Dynamics of the flexible loop of triosephosphate isomerase: the loop motion is not ligand gated

1 reference

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7 January 2021

The depth of chemical time and the power of enzymes as catalysts.

1 reference

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7 January 2021

Single-molecule enzymology

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966008-0

7 January 2021

Functional specificities of methylglyoxal synthase and triosephosphate isomerase: a combined QM/MM analysis

1 reference

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7 January 2021

The role of water in the catalytic efficiency of triosephosphate isomerase

1 reference

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7 January 2021

Simulation analysis of triose phosphate isomerase: conformational transition and catalysis

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966008-0

7 January 2021

10.1016/S0065-3233(03)66008-0

Identifiers

DOI

1 reference

9 August 2017

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