Conformational Energy Calculations on Polypeptides and Proteins

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

Monte Carlo-minimization approach to the multiple-minima problem in protein folding.

1987 • 1,419 citations

THE KINETICS OF FORMATION OF NATIVE RIBONUCLEASE DURING OXIDATION OF THE REDUCED POLYPEPTIDE CHAIN

1961 • 1,148 citations

A dense non-crystallographic packing of equal spheres

1962 • 1,116 citations

Theory and Applications of Distance Geometry

1970 • 1,090 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

Conformational Analysis of the 20 Naturally Occurring Amino Acid Residues Using ECEPP

1977 • 688 citations

Lecture notes in chemistry

1986 • 646 citations

A Monte carlo simulated annealing approach to optimization over continuous variables

1984 • 436 citations

Intermolecular potentials from crystal data. 6. Determination of empirical potentials for O-H...O = C hydrogen bonds from packing configurations

1984 • 343 citations

Statistical analysis of the physical properties of the 20 naturally occurring amino acids

1985 • 328 citations

On the multiple-minima problem in the conformational analysis of molecules: deformation of the potential energy hypersurface by the diffusion equation method

1989 • 296 citations

X-ray analysis (1. 4-Å resolution) of avian pancreatic polypeptide: Small globular protein hormone

1981 • 279 citations

Conformational flexibility in a small globular hormone: X‐ray analysis of avian pancreatic polypeptide at 0.98‐Å resolution

1983 • 208 citations

Structure and free energy of complex thermodynamic systems

1988 • 205 citations

Performance of the diffusion equation method in searches for optimum structures of clusters of Lennard-Jones atoms

1991 • 149 citations

A comparative study of the simulated‐annealing and Monte Carlo‐with‐minimization approaches to the minimum‐energy structures of polypeptides: [Met]‐enkephalin

1991 • 149 citations

Use of a Symmetry Condition to Compute the Conformation of Gramicidin S

1975 • 141 citations

Use of buildup and energy‐minimization procedures to compute low‐energy structures of the backbone of enkephalin

1985 • 133 citations

An approach to the multiple-minima problem in protein folding by relaxing dimensionality

1987 • 81 citations

Calculation of Protein Conformation by the Build-up Procedure. Application to Bovine Pancreatic Trypsin Inhibitor Using Limited Simulated Nuclear Magnetic Resonance Data

1988 • 67 citations

An approach to the multiple-minima problem by relaxing dimensionality.

1986 • 63 citations

Assessment of some problems associated with prediction of the three-dimensional structure of a protein from its amino-acid sequence.

1975 • 60 citations

Pattern recognition in the prediction of protein structure. I. Tripeptide conformational probabilities calculated from the amino acid sequence

1989 • 58 citations

Calculation of protein conformation as an assembly of stable overlapping segments: application to bovine pancreatic trypsin inhibitor.

1991 • 56 citations

Conformational analysis by energy embedding

1982 • 55 citations

Ring Closure in Chain Molecules with C_n,I, and S_2n Symmetry

1973 • 53 citations

Variable-Target-Function and Build-up Procedures for the Calculation of Protein Conformation. Application to Bovine Pancreatic Trypsin Inhibitor Using Limited Simulated Nuclear Magnetic Resonance Data

1988 • 50 citations

Structure Analysis of a Collagen Model Polypeptide, (Pro–Pro–Gly)₁₀

1976 • 49 citations

Diffusion equation method of global minimization: Performance for standard test functions

1991 • 49 citations

Pattern recognition in the prediction of protein structure. II. Chain conformation from a probability-directed search procedure

1989 • 42 citations

Characteristic sequential residue environment of amino acids in proteins

1986 • 38 citations

Pattern recognition in the prediction of protein structure. III. An importance‐sampling minimization procedure

1989 • 37 citations

Predicting isomorphic residue replacements for protein design

1990 • 35 citations

A possible way for prediction of domain boundaries in globular proteins from amino acid sequence

1986 • 35 citations

Regularities in the primary structure of proteins

1989 • 33 citations

Calculations on crystal packing of a flexible molecule, Leu-enkephalin

1988 • 19 citations

Conformational analysis by scaled energy embedding

1984 • 18 citations

Parallelism in Conformational Energy Calculations on Proteins

1986 • 18 citations

Investigation of protein refolding: a special feature of native structure responsible for refolding ability

1985 • 15 citations

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