Determining equilibrium constants for dimerization reactions from molecular dynamics simulations. | 3 | 0.55 | 2011 |
GROMACS: Fast, flexible, and free. | 358 | 31.78 | 2005 |
Simulation of slow reaction with quantum character: Neutral hydrolysis of carboxylic ester | 1 | 0.48 | 1999 |
Improving efficiency of large time-scale molecular dynamics simulations of hydrogen-rich systems. | 39 | 6.41 | 1999 |
A comparison of techniques for calculating protein essential dynamics | 6 | 1.12 | 1997 |
LINCS: A linear constraint solver for molecular simulations. | 313 | 41.68 | 1997 |
The Amfisbaena: A Parallel Sup computer System Based on i860 as a Generic Platform for Molecular Dynamics Simulation | 1 | 0.40 | 1996 |
Simultaneous integration of mixed quantum-classical systems by density matrix evolution equations using interaction representation and adaptive time step integrator. | 1 | 0.40 | 1996 |
Conformational search by potential energy annealing: Algorithm and application to cyclosporin A. | 1 | 0.35 | 1992 |