Finding the low-energy forms of avian pancreatic polypeptide with the diffusion-process-controlled Monte Carlo method

Equation of State Calculations by Fast Computing Machines

1953 • 34,935 citations

Stochastic Processes in Physics and Chemistry

2007 • 9,372 citations

A new force field for molecular mechanical simulation of nucleic acids and proteins

1984 • 4,553 citations

Spin glasses and the statistical mechanics of protein folding.

1987 • 1,608 citations

Estimation of effective interresidue contact energies from protein crystal structures: quasi-chemical approximation

1985 • 1,570 citations

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

1987 • 1,419 citations

Influence of proline residues on protein conformation

1991 • 1,125 citations

A simplified representation of protein conformations for rapid simulation of protein folding

1976 • 1,099 citations

Computer simulation of protein folding

1975 • 1,020 citations

Biased Probability Monte Carlo Conformational Searches and Electrostatic Calculations for Peptides and Proteins

1994 • 954 citations

STUDIES ON PROTEIN FOLDING, UNFOLDING AND FLUCTUATIONS BY COMPUTER SIMULATION

1975 • 658 citations

Toward an outline of the topography of a realistic protein-folding funnel.

1995 • 510 citations

Specific Nucleus as the Transition State for Protein Folding: Evidence from the Lattice Model

1994 • 478 citations

Cooperativity in protein-folding kinetics.

1993 • 470 citations

Protein folding dynamics: The diffusion‐collision model and experimental data

1994 • 444 citations

The nature of folded states of globular proteins

1992 • 378 citations

A united-residue force field for off-lattice protein-structure simulations. I. Functional forms and parameters of long-range side-chain interaction potentials from protein crystal data

1997 • 350 citations

Optimal protein-folding codes from spin-glass theory.

1992 • 341 citations

Implications of thermodynamics of protein folding for evolution of primary sequences

1990 • 279 citations

LINUS: A hierarchic procedure to predict the fold of a protein

1995 • 270 citations

Conformations of folded proteins in restricted spaces

1990 • 231 citations

Reduced representation model of protein structure prediction: Statistical potential and genetic algorithms

1993 • 212 citations

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

1983 • 208 citations

A general method for the prediction of the three dimensional structure and folding pathway of globular proteins: Application to designed helical proteins

1993 • 196 citations

A computer model to dynamically simulate protein folding: Studies with crambin

1989 • 166 citations

Factors affecting the ability of energy functions to discriminate correct from incorrect folds

1997 • 164 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

A neutral, water-soluble, .alpha.-helical peptide: the effect of ionic strength on the helix-coil equilibrium

1991 • 144 citations

Prediction of protein conformation on the basis of a search for compact structures: Test on avian pancreatic polypeptide

1993 • 137 citations

Factors governing the foldability of proteins

1996 • 120 citations

The role of helix formation in the folding of a fully α-helical coiled coil

1996 • 105 citations

Free Energy Determinants of Secondary Structure Formation: III. β-Turns and their Role in Protein Folding

1996 • 104 citations

A fast conformational search strategy for finding low energy structures of model proteins

1996 • 97 citations

How optimization of potential functions affects protein folding.

1996 • 91 citations

Folding proteins with a simple energy function and extensive conformational searching

1996 • 90 citations

The folding mechanism of larger model proteins: role of native structure.

1996 • 88 citations

On the formation of protein tertiary structure on a computer.

1978 • 87 citations

Pseudodihedrals: Simplified protein backbone representation with knowledge‐based energy

1994 • 81 citations

A simplified amino acid potential for use in structure predictions of proteins

1994 • 79 citations

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

1989 • 58 citations

The Origins of Protein Secondary Structure

1994 • 56 citations

A 1.8 Å resolution potential function for protein folding

1990 • 55 citations

A diffusion process-controlled Monte Carlo method for finding the global energy minimum of a polypeptide chain. I. Formulation and test on a hexadecapeptide

1997 • 45 citations

Folding a 20 amino acid αβ peptide with the diffusion process-controlled Monte Carlo method

1997 • 41 citations

Calculated tyrosyl circular dichroism of proteins

1982 • 20 citations

Biasing a Monte Carlo chain growth method with Ramachandran's plot: Application to twenty‐<scp>L</scp>‐alanine

1993 • 13 citations

Role of hydrophobic interactions and desolvation in determining the structural properties of a model alpha beta peptide.

1996 • 11 citations