Reassessment of the structure of chymotrypsin inhibitor 2 (CI-2) using time-averaged NMR 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

The protein data bank: A computer-based archival file for macromolecular structures

1977 • 8,627 citations

Interaction Models for Water in Relation to Protein Hydration

1981 • 5,479 citations

Computer Simulation of Molecular Dynamics: Methodology, Applications, and Perspectives in Chemistry

1990 • 1,480 citations

A protein structure from nuclear magnetic resonance data

1985 • 464 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

Crystal and molecular structure of the serine proteinase inhibitor CI-2 from barley seeds

1987 • 260 citations

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

1980 • 201 citations

Molecular dynamics of native protein

1983 • 190 citations

Interpretation of the Electron-Spin Resonance Spectrum of the Methyl Radical

1959 • 167 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

Crystal and molecular structure of chymotrypsin inhibitor 2 from barley seeds in complex with subtilisin Novo

1985 • 119 citations

Structure refinement using time-averaged J-coupling constant restraints

1993 • 114 citations

Automatic definition of recurrent local structure motifs in proteins

1990 • 112 citations

Comparison of protein structures determined by NMR in solution and by X-ray diffraction in single crystals

1992 • 91 citations

Refinement of the three-dimensional solution structure of barley serine proteinase inhibitor 2 and comparison with the structures in crystals

1991 • 69 citations

Comparison of the solution and X-ray structures of barley serine proteinase inhibitor 2

1987 • 64 citations

The determination of the three-dimensional structure of barley serine proteinase inhibitor 2 by nuclear magnetic resonance, distance geometry and restrained molecular dynamics

1987 • 58 citations