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

Molecular dynamics with coupling to an external bath

1984 • 27,984 citations

Contact Electron-Spin Coupling of Nuclear Magnetic Moments

1959 • 2,920 citations

Vicinal Proton Coupling in Nuclear Magnetic Resonance

1963 • 2,349 citations

The relationship between proton-proton NMR coupling constants and substituent electronegativities—I

1980 • 2,006 citations

Algorithms for macromolecular dynamics and constraint dynamics

1977 • 1,704 citations

Spin—spin coupling and the conformational states of peptide systems

1976 • 788 citations

A protein structure from nuclear magnetic resonance data

1985 • 464 citations

Time-dependent distance restraints in molecular dynamics simulations

1989 • 263 citations

Solution conformation of a heptadecapeptide comprising the DNA binding helix F of the cyclic AMP receptor protein of Escherichia coli

1985 • 248 citations

Determination of the complete three-dimensional structure of the α-amylase inhibitor tendamistat in aqueous solution by nuclear magnetic resonance and distance geometry

1988 • 231 citations

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

1988 • 205 citations

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

1990 • 160 citations

HETLOC, an Efficient Method for Determining Heteronuclear Long‐Range Couplings with Heteronuclei in Natural Abundance

1991 • 144 citations

Experimental Calibration of a Karplus Relationship in Order to Study the Conformations of Peptides by Nuclear Magnetic Resonance

1974 • 127 citations

Three-Dimensional Solution Structure of Plastocyanin from the Green Alga Scenedesmus obliquus

1988 • 87 citations

Molecular dynamics with dimethyl sulfoxide as a solvent. Conformation of a cyclic hexapeptide

1991 • 86 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

Side chain conformations of oxytocin and vasopressin studied by NMR observation of isotopic isomers

1983 • 38 citations

Determination of the ϕ angle in a peptide backbone by NMR spectroscopy with a combination of homonuclear and heteronuclear coupling constants

1992 • 26 citations