Electrostatic stress in catalysis: Structure and mechanism of the enzyme orotidine monophosphate decarboxylase

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Crystallography & NMR System: A New Software Suite for Macromolecular Structure Determination

1998 • 15,791 citations

All-Atom Empirical Potential for Molecular Modeling and Dynamics Studies of Proteins

1998 • 13,827 citations

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

1985 • 12,977 citations

Improved methods for building protein models in electron density maps and the location of errors in these models

1991 • 12,831 citations

AMoRe: an automated package for molecular replacement

1994 • 4,990 citations

Theoretical studies of enzymic reactions: Dielectric, electrostatic and steric stabilization of the carbonium ion in the reaction of lysozyme

1976 • 4,264 citations

Automated MAD and MIR structure solution

1999 • 3,079 citations

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

1990 • 2,379 citations

Structure and Mechanism in Protein Science

1998 • 1,918 citations

[27] Maximum-likelihood heavy-atom parameter refinement for multiple isomorphous replacement and multiwavelength anomalous diffraction methods

1997 • 1,905 citations

Low-Barrier Hydrogen Bonds and Enzymic Catalysis

1994 • 1,117 citations

A Proficient Enzyme

1995 • 859 citations

Binding Energy, Specificity, and Enzymic Catalysis: The Circe Effect

1975 • 844 citations

Structure and mechanism

1989 • 843 citations

Synthetic, Switchable Enzymes

2017 • 628 citations

Electrostatic Origin of the Catalytic Power of Enzymes and the Role of Preorganized Active Sites

1998 • 586 citations

A Priori Evaluation of Aqueous Polarization Effects through Monte Carlo QM-MM Simulations

1992 • 569 citations

Hybrid Quantum and Molecular Mechanical Simulations: An Alternative Avenue to Solvent Effects in Organic Chemistry

1996 • 509 citations

A Generalized Hybrid Orbital (GHO) Method for the Treatment of Boundary Atoms in Combined QM/MM Calculations

1998 • 495 citations

ENZYMATIC SYNTHESIS OF PYRIMIDINE NUCLEOTIDES. OROTIDINE-5'-PHOSPHATE AND URIDINE-5'-PHOSPHATE

1955 • 337 citations

Absolute free energy of solvation from Monte Carlo simulations using combined quantum and molecular mechanical potentials

1992 • 206 citations

Theory of Vibrational Relaxation in Liquids

1961 • 179 citations

Solvation, Reorganization Energy, and Biological Catalysis

1998 • 167 citations

A Proficient Enzyme Revisited: The Predicted Mechanism for Orotidine Monophosphate Decarboxylase

1997 • 157 citations

Physical organic chemistry of benzisoxazoles. III. Mechanism and the effects of solvents on rates of decarboxylation of benzisoxazole-3-carboxylic acids

1975 • 150 citations

Mechanism of decarboxylation of 1,3-dimethylorotic acid. A model for orotidine 5'-phosphate decarboxylase

1976 • 104 citations

Inhibition of orotidine-5'-phosphate decarboxylase by 1-(5'-phospho-.beta.-D-ribofuranosyl)barbituric acid, 6-azauridine 5'-phosphate, and uridine 5'-phosphate

1980 • 97 citations

An Automated Procedure for Simulating Chemical Reactions in Solution. Application to the Decarboxylation of 3-Carboxybenzisoxazole in Water

1995 • 69 citations

Orotidine-5'-monophosphate decarboxylase catalysis: kinetic isotope effects and the state of hybridization of a bound transition-state analog

1990 • 54 citations

A unique catalytic and inhibitor-binding role for Lys93 of yeast orotidylate decarboxylase

1992 • 52 citations

The purification of orotidine-5'-phosphate decarboxylase from yeast by affinity chromatography.

1979 • 41 citations

Purification and characterization of yeast orotidine 5'-monophosphate decarboxylase overexpressed from plasmid PGU2

1991 • 30 citations

Activity of Yeast Orotidine-5′-phosphate Decarboxylase in the Absence of Metals

1999 • 27 citations

No Metal Cofactor in Orotidine 5′-Monophosphate Decarboxylase

1999 • 27 citations

Decomposition of 2-(1-Hydroxybenzyl)thiamin in Neutral Aqueous Solutions: Benzaldehyde and Thiamin Are Not the Products

1993 • 27 citations

Active Site Probes for Yeast OMP Decarboxylase: Inhibition Constants of UMP and Thio-Substituted UMP Analogues and Greatly Reduced Activity toward CMP-6-Carboxylate

1999 • 23 citations

Theoretical drug design: 6‐Azauridine‐5′‐phosphate—its X‐ray crystal structure, potential energy maps, and mechanism of inhibition of orotidine‐5′‐phosphate decarboxylase

1979 • 17 citations