Digitally filtered molecular dynamics: The frequency specific control of molecular dynamics simulations

Comparison of simple potential functions for simulating liquid water

1983 • 37,746 citations

Particle mesh Ewald: An N⋅log(N) method for Ewald sums in large systems

1993 • 26,634 citations

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

1977 • 19,896 citations

Numerical recipes in C: the art of scientific computing

1993 • 18,639 citations

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

1995 • 12,826 citations

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

1984 • 4,553 citations

Conversion of alpha-helices into beta-sheets features in the formation of the scrapie prion proteins.

1993 • 2,237 citations

Optimized intermolecular potential functions for liquid hydrocarbons

1984 • 2,198 citations

DL_POLY_2.0: A general-purpose parallel molecular dynamics simulation package

1996 • 2,137 citations

Unfolding of Titin Immunoglobulin Domains by Steered Molecular Dynamics Simulation

1998 • 692 citations

Fatal Familial Insomnia and Familial Creutzfeldt-Jakob Disease: Disease Phenotype Determined by a DNA Polymorphism

1992 • 680 citations

A molecular dynamics simulation of a water model with intramolecular degrees of freedom

1987 • 419 citations

Thermal stability and conformational transitions of scrapie amyloid (prion) protein correlate with infectivity

1993 • 204 citations

Designing digital filters

1985 • 83 citations

SWARM-MD: Searching Conformational Space by Cooperative Molecular Dynamics

1998 • 61 citations

Filtering molecular dynamics trajectories to reveal low-frequency collective motions: Phospholipase A2

1989 • 55 citations

Analysis of intramolecular motions by filtering molecular dynamics trajectories

1990 • 34 citations

Wavelet Transform for Analysis of Molecular Dynamics

1996 • 29 citations

Temperature echoes in molecular dynamics simulations of proteins

1993 • 27 citations

Quench echoes in molecular dynamics--A new phonon spectroscopy

1980 • 23 citations

Molecular dynamics: Deciphering the data

1996 • 20 citations

Real-time interactive frequency filtering of molecular dynamics trajectories

1991 • 19 citations

FOCUS: a program for analyzing molecular dynamics simulations, featuring digital signal-processing techniques

1992 • 18 citations

Conformational Flexibility of Manxane Revealed by Adiabatic Mapping, Normal Mode Analysis, and Molecular Dynamics

1995 • 12 citations

Velocity reassignment echoes in proteins

1995 • 11 citations