Assessing the Quality of Solution Nuclear Magnetic Resonance Structures by Complete Cross-Validation

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

Cross-Validatory Choice and Assessment of Statistical Predictions

1974 • 8,849 citations

NMR with Proteins and Nucleic Acids

1986 • 7,896 citations

The Jackknife, the Bootstrap and Other Resampling Plans

1982 • 7,816 citations

Free R value: a novel statistical quantity for assessing the accuracy of crystal structures

1992 • 3,863 citations

X-PLOR Version 3.1: A System for X-ray Crystallography and NMR

1992 • 3,488 citations

Accurate bond and angle parameters for X-ray protein structure refinement

1991 • 2,467 citations

Solution structure of a calmodulin-target peptide complex by multidimensional NMR

1992 • 1,258 citations

Pseudo-structures for the 20 common amino acids for use in studies of protein conformations by measurements of intramolecular proton-proton distance constraints with nuclear magnetic resonance

1983 • 1,012 citations

A Novel, Highly Stable Fold of the Immunoglobulin Binding Domain of Streptococcal Protein G

1991 • 794 citations

Determination of three‐dimensional structures of proteins from interproton distance data by hybrid distance geometry‐dynamical simulated annealing calculations

1988 • 775 citations

Computer simulation

1988 • 628 citations

Stereochemically restrained refinement of macromolecular structures

1985 • 614 citations

Solution conformation of proteinase inhibitor IIA from bull seminal plasma by 1H nuclear magnetic resonance and distance geometry

1985 • 610 citations

Assessment of phase accuracy by cross validation: the free R value. Methods and applications

1993 • 451 citations

Structures of Larger Proteins in Solution: Three- and Four-Dimensional Heteronuclear NMR Spectroscopy

1991 • 437 citations

The theory and practice of distance geometry

1983 • 377 citations

An evaluation of the combined use of nuclear magnetic resonance and distance geometry for the determination of protein conformations in solution

1985 • 373 citations

Time-averaged nuclear overhauser effect distance restraints applied to tendamistat

1990 • 279 citations

Time-dependent distance restraints in molecular dynamics simulations

1989 • 263 citations

The three-dimensional structure of α1-purothionin in solution: combined use of nuclear magnetic resonance, distance geometry and restrained molecular dynamics

1986 • 250 citations

Solution structure of the cyclosporin A/cyclophilin complex by NMR

1993 • 241 citations

Sampling and efficiency of metric matrix distance geometry: A novel partial metrization algorithm

1992 • 204 citations

Computational challenges for macromolecular structure determination by X-ray crystallography and solution NMRspectroscopy

1993 • 176 citations

High-resolution three-dimensional structure of interleukin 1.beta. in solution by three- and four-dimensional nuclear magnetic resonance spectroscopy

1991 • 175 citations

Three-Dimensional Solution Structure of Human Interleukin-4 by Multidimensional Heteronuclear Magnetic Resonance Spectroscopy

1992 • 165 citations

Relaxation matrix refinement of the solution structure of squash trypsin inhibitor

1991 • 160 citations

Exploring the Limits of Precision and Accuracy of Protein Structures Determined by Nuclear Magnetic Resonance Spectroscopy

1993 • 155 citations

Two-, Three-, and Four-Dimensional NMR Methods for Obtaining Larger and More Precise Three-Dimensional Structures of Proteins in Solution

1991 • 151 citations

Human interleukin 4

1992 • 146 citations

Protein solution structure determination using distances from two-dimensional nuclear Overhauser effect experiments: effect of approximations on the accuracy of derived structures.

1991 • 141 citations

A new method for refinement of macro molecular structures based on nuclear overhauser effect spectra

1989 • 139 citations

Determination of the complete three-dimensional structure of the trypsin inhibitor from squash seeds in aqueous solution by nuclear magnetic resonance and a combination of distance geometry and dynamical simulated annealing

1989 • 128 citations

Simulated Annealing in Crystallography

1991 • 104 citations

Toward an NMR R factor

1991 • 86 citations

Relaxation matrix analysis of two-dimensional nuclear Overhauser effect spectra

1991 • 86 citations

NMR analysis of helix I from the 5S RNA of Escherichia coli

1992 • 68 citations

A New Method for In-Vitro Wear Assessment of Materials Used in Mechanical Heart Valves

1994 • 60 citations

Computer-Intensive Methods in Statistical Regression

1988 • 47 citations

Problems with, and alternatives to, the NMR R factor

1992 • 24 citations

Effects of limited input distance constraints upon the distance geometry algorithm

1991 • 19 citations

Calculating NOESY intensities by perturbation expansion

1989 • 6 citations