Calculation of protein conformations by proton-proton distance constraints

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1967 • 8,657 citations

Energy parameters in polypeptides. VII. Geometric parameters, partial atomic charges, nonbonded interactions, hydrogen bond interactions, and intrinsic torsional potentials for the naturally occurring amino acids

1975 • 1,532 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

Energy parameters in polypeptides. 9. Updating of geometrical parameters, nonbonded interactions, and hydrogen bond interactions for the naturally occurring amino acids

1983 • 947 citations

Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

1975 • 544 citations

Buildup rates of the nuclear Overhauser effect measured by two-dimensional proton magnetic resonance spectroscopy: implications for studies of protein conformation

1981 • 504 citations

Gene duplications in the structural evolution of chymotrypsin

1979 • 501 citations

Conjugate Direction Methods in Optimization

1980 • 500 citations

Protein folding by restrained energy minimization and molecular dynamics

1983 • 371 citations

Systematic Application of Two‐Dimensional ¹H Nuclear‐Magnetic‐Resonance Techniques for Studies of Proteins

1981 • 280 citations

Combined use of proton-proton overhauser enhancements and a distance geometry algorithm for determination of polypeptide conformations. Application to micelle-bound glucagon

1981 • 267 citations

Individual assignments of amide proton resonances in the proton NMR spectrum of the basic pancreatic trypsin inhibitor

1979 • 178 citations

On the prediction of protein structure: The significance of the root-mean-square deviation

1980 • 178 citations

Stable calculation of coordinates from distance information

1978 • 163 citations

A novel approach to calculation of conformation: Distance geometry

1977 • 159 citations

Effects of distance constraints on macromolecular conformation. II. Simulation of experimental results and theoretical predictions

1979 • 149 citations

Calculation of protein tertiary structure

1976 • 133 citations

Systematic Application of Two‐Dimensional ¹H Nuclear‐Magnetic‐Resonance Techniques for Studies of Proteins

1981 • 131 citations

Structural study of the hydrophobic box region of lysozyme in solution using nuclear Overhauser effects

1980 • 122 citations

Rapid calculation of first and second derivatives of conformational energy with respect to dihedral angles for proteins general recurrent equations

1984 • 104 citations

Structure of apamin in solution: a two-dimensional nuclear magnetic resonance study

1983 • 100 citations

A Method of Rapid Calculation of a Second Derivative Matrix of Conformational Energy for Large Molecules

1983 • 81 citations

NMR solution conformation of gramicidin A double helix

1984 • 49 citations

Use of distance constraints to fold a protein

1981 • 41 citations

On the computation of the tertiary structure of globular proteins II

1979 • 40 citations

Representation of short and long-range handedness in protein structures by signed distance maps

1983 • 26 citations

Flexibility of bovine pancreatic trypsin inhibitor

1978 • 18 citations