Concepedia
Computer Physics Communications · 2008 · 149 citations · 20 references
EngineeringPhysicsNatural SciencesComputational BiologyMolecular BiologyMolecular Dynamics SimulationsMolecular GraphicMolecular SimulationComputational ChemistryMolecular ComputingMolecular DynamicsBiophysicsGpu ComputingComputational Biophysics
20
Fast Parallel Algorithms for Short-Range Molecular Dynamics
Steven J. Plimpton · Journal of Computational Physics · 1995 · 43.6K citations
Engineering, Fast Parallel Algorithms, Parallel Programming +6
Automated docking using a Lamarckian genetic algorithm and an empirical binding free energy function
Garrett M. Morris, David S. Goodsell, Robert S. Halliday et al. · Journal of Computational Chemistry · 1998 · 10.7K citations
Engineering, Molecular Biology, Computational Chemistry +22
GROMACS: A message-passing parallel molecular dynamics implementation
Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen · Computer Physics Communications · 1995 · 10.2K citations
Engineering, Parallel Programming, Computational Chemistry +4
Molecular dynamics---Scalable algorithms for molecular dynamics simulations on commodity clusters
K. J. Bowers, Federico D. Sacerdoti, John K. Salmon et al. · 2006 · 2.4K citations
Cluster Computing, Engineering, Computer Architecture +21
General purpose molecular dynamics simulations fully implemented on graphics processing units
Joshua A. Anderson, Christian D. Lorenz, Alex Travesset · Journal of Computational Physics · 2008 · 1.5K citations
Engineering, Physics, Natural Sciences +11