Rigid body constraints realized in massively-parallel molecular dynamics on graphics processing units
- 14 June 2011
- journal article
- Published by Elsevier BV in Computer Physics Communications
- Vol. 182 (11), 2307-2313
- https://doi.org/10.1016/j.cpc.2011.06.005
Abstract
No abstract availableKeywords
This publication has 27 references indexed in Scilit:
- Challenges in protein-folding simulationsNature Physics, 2010
- Design of polymer nanocomposites in solution by polymer functionalizationPhysical Review E, 2010
- Distance and angular holonomic constraints in molecular simulationsThe Journal of Chemical Physics, 2010
- Reconfigurable Assemblies of Shape-Changing NanorodsACS Nano, 2010
- Constant Constraint Matrix Approximation: A Robust, Parallelizable Constraint Method for Molecular SimulationsJournal of Chemical Theory and Computation, 2010
- Stability of the double gyroid phase to nanoparticle polydispersity in polymer-tethered nanosphere systemsSoft Matter, 2010
- Absolute comparison of simulated and experimental protein-folding dynamicsNature, 2002
- Pathways to a Protein Folding Intermediate Observed in a 1-Microsecond Simulation in Aqueous SolutionScience, 1998
- Singularity free algorithm for molecular dynamics simulation of rigid polyatomicsMolecular Physics, 1977
- Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanesJournal of Computational Physics, 1977