Structure refinement using time-averaged J-coupling constant restraints

Molecular dynamics with coupling to an external bath

1984 • 27,984 citations

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

1977 • 19,896 citations

Contact Electron-Spin Coupling of Nuclear Magnetic Moments

1959 • 2,920 citations

Calibration of the angular dependence of the amide proton-Cα proton coupling constants, 3JHNα, in a globular protein

1984 • 956 citations

Protein structures in solution by nuclear magnetic resonance and distance geometry

1987 • 569 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

Distance geometry and related methods for protein structure determination from NMR data

1987 • 215 citations

Conformational dynamics detected by nuclear magnetic resonance NOE values and J coupling constants

1988 • 205 citations

On the nature of molecular conformations inferred from high-resolution NMR

1980 • 201 citations

Refinement of the NMR structures for acyl carrier protein with scalar coupling data

1990 • 160 citations

Accurate measurements of coupling constants from two-dimensional nuclear magnetic resonance spectra of proteins and determination of φ-angles

1991 • 158 citations

Are time-averaged restraints necessary for nuclear magnetic resonance refinement?

1991 • 139 citations

Multi-conformational peptide dynamics derived from NMR data: A new search algorithm and its application to antamanide

1991 • 136 citations

Determination of the three-dimensional solution structure of the antihypertensive and antiviral protein BDS-I from the sea anemone Anemonia sulcata: a study using nuclear magnetic resonance and hybrid distance geometry-dynamical simulated annealing

1989 • 135 citations

Restrained Molecular Dynamics Procedure for Protein Tertiary Structure Determination from NMR Data: A Lac Repressor Headpiece Structure Based on Information on J‐coupling and from Presence and Absence of NOE's

1986 • 74 citations

Three-dimensional structure of phoratoxin in solution: combined use of nuclear magnetic resonance, distance geometry, and restrained molecular dynamics

1987 • 72 citations

Conformation of uncomplexed natural antamanide crystallized from CH ₃ CN/H ₂ O

1979 • 62 citations

Conformation of Antamanide

1989 • 37 citations

Combined use of homo‐ and heteronuclear coupling constants as restraints in molecular dynamics simulations

1992 • 36 citations