Implementation of the ECEPP algorithm, the Monte Carlo minimization method, and the electrostatically driven Monte Carlo method on the Kendall square research KSR1 computer

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

Principles that Govern the Folding of Protein Chains

1973 • 6,771 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

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

1987 • 1,419 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

Energy parameters in polypeptides. 10. Improved geometrical parameters and nonbonded interactions for use in the ECEPP/3 algorithm, with application to proline-containing peptides

1992 • 675 citations

Calculations of Conformations of Polypeptides

1968 • 387 citations

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

1984 • 343 citations

Algorithm 611: Subroutines for Unconstrained Minimization Using a Model/Trust-Region Approach

1983 • 315 citations

Structure and free energy of complex thermodynamic systems

1988 • 205 citations

Algorithms and applications on vector and parallel computers

1987 • 204 citations

Conformational Energy Calculations on Polypeptides and Proteins

1994 • 181 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. II. An electrostatically driven Monte Carlo method—tests on poly(<scp>L</scp>‐alanine)

1988 • 163 citations

Vector and parallel algorithms for the molecular dynamics simulation of macromolecules on shared‐memory computers

1991 • 72 citations

The multiple-minima problem in the conformational analysis of polypeptides. III. An Electrostatically Driven Monte Carlo Method: Tests on enkephalin

1989 • 70 citations

Conformational analysis of proteins: Algorithms and data structures for array processing

1980 • 54 citations

Application of the renormalization group to deterministic global minimization of molecular conformation energy functions

1992 • 41 citations

On the multiple‐minima problem in the conformational analysis of polypeptides. V. Application of the self‐consistent electrostatic field and the electrostatically driven monte carlo methods to bovine pancreatic trypsin inhibitor

1991 • 34 citations

Protein calculations on parallel processors. I. Parallel algorithm for the potential energy

1992 • 15 citations

A parallel Monte Carlo search algorithm for the conformational analysis of polypeptides

1992 • 4 citations