Algorithms for macromolecular dynamics and constraint dynamics

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

1977 • 19,896 citations

Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

1967 • 8,657 citations

Statistical mechanics of chain molecules

1969 • 6,455 citations

Numerical Initial Value Problems in Ordinary Differential Equations

1973 • 4,016 citations

Numerical Initial Value Problems in Ordinary Differential Equations

1972 • 3,569 citations

Correlations in the Motion of Atoms in Liquid Argon

1964 • 2,482 citations

Studies in Molecular Dynamics. I. General Method

1959 • 2,318 citations

Molecular Dynamics Study of Liquid Water

1971 • 1,365 citations

Some multistep methods for use in molecular dynamics calculations

1976 • 889 citations

Molecular dynamics of liquid n-butane near its boiling point

1975 • 630 citations

Crystallographic refinement of the structure of bovine pancreatic trypsin inhibitor at l.5 Å resolution

1975 • 544 citations

Isothermal molecular dynamics calculations for liquid salts

1971 • 543 citations

On numerical integration of ordinary differential equations

1962 • 393 citations

Conformational Properties of Macromolecules

1973 • 322 citations

Simulation of Diatomic Homonuclear Liquids

1973 • 305 citations

Theoretical and experimental studies of conformations of polypeptides

1971 • 219 citations

Sidechain torsional potentials and motion of amino acids in porteins: bovine pancreatic trypsin inhibitor.

1975 • 215 citations

Effects of a Long-Range Oscillatory Potential on the Radial Distribution Function and the Constant of Self-Diffusion in Liquid Na

1966 • 94 citations