Variation of the Energy Landscape of a Small Peptide under a Change from the ECEPP/2 Force Field to ECEPP/3

Optimization by Simulated Annealing

1983 • 42,775 citations

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

<scp>CHARMM</scp>: A program for macromolecular energy, minimization, and dynamics calculations

1983 • 14,615 citations

An all atom force field for simulations of proteins and nucleic acids

1986 • 3,388 citations

New Monte Carlo technique for studying phase transitions

1988 • 2,556 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

Multicanonical algorithms for first order phase transitions

1991 • 1,151 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

Genetic Algorithms: Principles of Natural Selection Applied to Computation

1993 • 856 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

Prediction of peptide conformation by multicanonical algorithm: New approach to the multiple‐minima problem

1993 • 385 citations

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

1984 • 343 citations

New approach to spin-glass simulations

1992 • 316 citations

Molecular dynamics, Langevin and hydrid Monte Carlo simulations in a multicanonical ensemble

1996 • 286 citations

Monte Carlo Simulation of a First-Order Transition for Protein Folding

1994 • 219 citations

Thermodynamics of Helix-Coil Transitions Studied by Multicanonical Algorithms

1995 • 193 citations

Conformational Energy Calculations on Polypeptides and Proteins

1994 • 181 citations

Numerical comparisons of three recently proposed algorithms in the protein folding problem

1997 • 168 citations

Comparative study of multicanonical and simulated annealing algorithms in the protein folding problem

1994 • 126 citations

Efficient search for all low energy conformations of polypeptides by Monte Carlo methods

1991 • 106 citations

Simulation of an ensemble with varying magnetic field: A numerical determination of the order-order interface tension in theD=2 Ising model

1993 • 101 citations

Enhanced conformational sampling in Monte Carlo simulations of proteins: application to a constrained peptide.

1995 • 59 citations

Prediction of Low-Energy Structures of Met-Enkephalin by Monte Carlo Simulated Annealing

1992 • 43 citations

Multicanonical Study of the 3D Ising Spin Glass

1993 • 37 citations

A Simple and Effective Procedure for Conformational Search of Macromolecules: Application to Met- and Leu-Enkephalin

1994 • 28 citations

The van Hemmen spin glass revisited

1993 • 10 citations