Conformational distribution of heptaalanine: Analysis using a new Monte Carlo chain growth method

Optimization by Simulated Annealing

1983 • 42,775 citations

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

1983 • 14,615 citations

Statistical mechanics of chain molecules

1969 • 6,455 citations

Dynamics of folded proteins

1977 • 1,929 citations

Ultrametricity for physicists

1986 • 756 citations

Unusually stable helix formation in short alanine-based peptides.

1989 • 752 citations

Applications of the Monte Carlo Method in Statistical Physics

1987 • 749 citations

Theory of helix-coil transitions in biopolymers

1970 • 734 citations

Multiple Conformational States of Proteins: A Molecular Dynamics Analysis of Myoglobin

1987 • 663 citations

Side Chain Contributions to the Stability of Alpha-Helical Structure in Peptides

1990 • 455 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

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

Microfolding: Conformational probability map for the alanine dipeptide in water from molecular dynamics simulations

1988 • 163 citations

The potential of mean force surface for the alanine dipeptide in aqueous solution: a theoretical approach

1985 • 150 citations

A molecular dynamics simulation of polyalanine: An analysis of equilibrium motions and helix–coil transitions

1991 • 123 citations

The helical s constant for alanine in water derived from template-nucleated helices

1991 • 119 citations

Empirical force field study of geometries and conformational transitions of some organic molecules

1992 • 114 citations

Helix–coil transitions in a simple polypeptide model

1980 • 97 citations

Guided replication of random chain: a new Monte Carlo method

1990 • 70 citations

Excluded volume approximation to protein-solvent interaction. The solvent contact model

1990 • 69 citations

Scaling behavior of polyelectrolytes and polyampholytes: Simulation by an ensemble growth method

1991 • 66 citations

Reaction path study of conformational transitions and helix formation in a tetrapeptide.

1989 • 63 citations

Diffusion-influenced excimer formation kinetics

1991 • 43 citations

Structural basis of hierarchical multiple substates of a protein. II: Monte carlo simulation of native thermal fluctuations and energy minimization

1989 • 37 citations

Protein folding

1991 • 35 citations

Protein molecular dynamics constrained to slow modes: theoretical approach based on a hierarchy of local modes with a set of holonomic constraints; the method and its tests on citrate synthase

1991 • 33 citations

Evolution and stability of polypeptide chain conformation: a simulation study

1981 • 28 citations

Molecular dynamics simulation by atomic mass weighting

1990 • 26 citations

Mass‐weighted molecular dynamics simulation of cyclic polypeptides

1991 • 22 citations

Monte Carlo Studies of “Random” Systems

1984 • 22 citations

Differential cross section as a function of the product internal state: The F+I2→IF(v,J)+I reactive collision

1991 • 15 citations

THE SCANNING SIMULATION METHOD FOR MACROMOLECULES

1990 • 11 citations

A new Monte Carlo method to study protein structures

1991 • 8 citations

Comparison of a new Monte Carlo peptide conformational search procedure with high temperature molecular dynamics

1991 • 6 citations

The Lyrid Meteors

1903 • 3 citations