Overcoming stability limitations in biomolecular dynamics. I. Combining force splitting via extrapolation with Langevin dynamics in LN
- 1 August 1998
- journal article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 109 (5) , 1617-1632
- https://doi.org/10.1063/1.476736
Abstract
No abstract availableKeywords
This publication has 41 references indexed in Scilit:
- Finite representation of an infinite bulk system: Solvent boundary potential for computer simulationsThe Journal of Chemical Physics, 1994
- Unfolding and refolding of the native structure of bovine pancreatic trypsin inhibitor studied by computer simulationsBiochemistry, 1993
- Reversible multiple time scale molecular dynamicsThe Journal of Chemical Physics, 1992
- Langevin dynamics of peptides: The frictional dependence of isomerization rates of N‐acetylalanyl‐N′‐methylamideBiopolymers, 1992
- Generalized Verlet Algorithm for Efficient Molecular Dynamics Simulations with Long-range InteractionsMolecular Simulation, 1991
- Polar hydrogen positions in proteins: Empirical energy placement and neutron diffraction comparisonProteins-Structure Function and Bioinformatics, 1988
- Deformable stochastic boundaries in molecular dynamicsThe Journal of Chemical Physics, 1983
- Comparison of simple potential functions for simulating liquid waterThe Journal of Chemical Physics, 1983
- CHARMM: A program for macromolecular energy, minimization, and dynamics calculationsJournal of Computational Chemistry, 1983
- The protein data bank: A computer-based archival file for macromolecular structuresJournal of Molecular Biology, 1977