Development of MD Engine: High-speed accelerator with parallel processor design for molecular dynamics simulations

A fast algorithm for particle simulations

1987 • 4,825 citations

The Art of Molecular Dynamics Simulation

2004 • 3,845 citations

A hierarchical O(N log N) force-calculation algorithm

1986 • 3,425 citations

Reversible multiple time scale molecular dynamics

1992 • 3,392 citations

Prediction of Protein Structure and the Principles of Protein Conformation

1989 • 814 citations

The Art of Molecular Dynamics Simulation

1996 • 395 citations

The effects of truncating long‐range forces on protein dynamics

1989 • 243 citations

Cutoff size does strongly influence molecular dynamics results on solvated polypeptides

1992 • 225 citations

Difficulties with multiple time stepping and fast multipole algorithm in molecular dynamics

1997 • 106 citations

The first step in sugar transport: crystal structure of the amino terminal domain of enzyme I of the E. coli PEP: sugar phosphotransferase system and a model of the phosphotransfer complex with HPr

1996 • 105 citations

Molecular dynamics simulations of proteins in solution: Artifacts caused by the cutoff approximation

1994 • 105 citations

Dynamics of molecules with internal degrees of freedom by multiple time-step methods

1993 • 94 citations

Performance of fast multipole methods for calculating electrostatic interactions in biomacromolecular simulations

1994 • 83 citations

Replicated data and domain decomposition molecular dynamics techniques for simulation of anisotropic potentials

1997 • 63 citations

Fitting an inhibitor into the active site of thermolysin: A molecular dynamics case study

1996 • 59 citations

Parallel Molecular Dynamics Algorithms for Simulation of Molecular Systems

1995 • 50 citations

Parallel Computing in Computational Chemistry

1995 • 46 citations

FASTRUN: A special purpose, hardwired computer for molecular simulation

1991 • 45 citations

A structural and energetics analysis of the binding of a series of N-acetylneuraminic-acid-based inhibitors to influenza virus sialidase

1996 • 38 citations

How does the Electrostatic Force Cut-Off Generate Non-uniform Temperature Distributions in Proteins?

1996 • 35 citations

Solution structure of the donor site of a trans-splicing RNA

1996 • 30 citations

Error evaluation in the design of a special‐purpose processor that calculates nonbonded forces in molecular dynamics simulations

1995 • 28 citations

A special‐purpose computer for molecular dynamics: GRAPE‐2A

1994 • 16 citations