Constant Temperature Constrained Molecular Dynamics: The Newton−Euler Inverse Mass Operator Method
- 1 January 1996
- journal article
- research article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry
- Vol. 100 (25), 10508-10517
- https://doi.org/10.1021/jp953043o
Abstract
No abstract availableKeywords
This publication has 20 references indexed in Scilit:
- Protein simulations using techniques suitable for very large systems: The cell multipole method for nonbond interactions and the Newton‐Euler inverse mass operator method for internal coordinate dynamicsProteins-Structure Function and Bioinformatics, 1994
- Torsion angle dynamics: Reduced variable conformational sampling enhances crystallographic structure refinementProteins-Structure Function and Bioinformatics, 1994
- A fast recursive algorithm for molecular dynamics simulationJournal of Computational Physics, 1993
- Atomic level simulations on a million particles: The cell multipole method for Coulomb and London nonbond interactionsThe Journal of Chemical Physics, 1992
- Constant Temperature Molecular Dynamics MethodsProgress of Theoretical Physics Supplement, 1991
- New Methodology for Computer-Aided Modelling of Biomolecular Structure and Dynamics 1. Non-Cyclic StructuresJournal of Biomolecular Structure and Dynamics, 1989
- Kalman filtering, smoothing, and recursive robot arm forward and inverse dynamicsIEEE Journal on Robotics and Automation, 1987
- Canonical dynamics: Equilibrium phase-space distributionsPhysical Review A, 1985
- A unified formulation of the constant temperature molecular dynamics methodsThe Journal of Chemical Physics, 1984
- Argon Shear Viscosity via a Lennard-Jones Potential with Equilibrium and Nonequilibrium Molecular DynamicsPhysical Review Letters, 1973