(Q51466621)

5 April 2018

title

Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. II. Canonical and isokinetic ensembles. (English)

1 reference

5 April 2018

author name string

Igor P Omelyan

series ordinal

1

1 reference

5 April 2018

Andriy Kovalenko

series ordinal

2

1 reference

5 April 2018

language of work or name

English

0 references

publication date

1 December 2011

1 reference

5 April 2018

Journal of Chemical Physics

published in

1 reference

5 April 2018

volume

135

1 reference

5 April 2018

issue

23

1 reference

5 April 2018

page(s)

234107

1 reference

5 April 2018

Multiple time scale molecular dynamics for fluids with orientational degrees of freedom. I. Microcanonical ensemble.

cites work

1 reference

Reversible multiple time scale molecular dynamics

21 January 2018

1 reference

Molecular dynamics simulations of biomolecules

21 January 2018

1 reference

Multiplexed-replica exchange molecular dynamics method for protein folding simulation

21 January 2018

1 reference

Nonequilibrium, multiple-timescale simulations of ligand-receptor interactions in structured protein systems.

21 January 2018

1 reference

All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

1 reference

Partial rigid-body dynamics in NPT, NPAT and NPgammaT ensembles for proteins and membranes.

21 January 2018

1 reference

Time reversible and symplectic integrators for molecular dynamics simulations of rigid molecules.

21 January 2018

1 reference

Explicit symplectic integrators of molecular dynamics algorithms for rigid-body molecules in the canonical, isobaric-isothermal, and related ensembles.

21 January 2018

1 reference

Advanced gradient-like methods for rigid-body molecular dynamics.

21 January 2018

1 reference

Canonical dynamics: Equilibrium phase-space distributions

21 January 2018

1 reference

Equipartition and the Calculation of Temperature in Biomolecular Simulations.

21 January 2018

1 reference

Comparison of simple potential functions for simulating liquid water

21 January 2018

1 reference

Combination of molecular dynamics method and 3D-RISM theory for conformational sampling of large flexible molecules in solution

21 January 2018

1 reference

Three-dimensional molecular theory of solvation coupled with molecular dynamics in Amber

21 January 2018

1 reference

Higher-order hybrid Monte Carlo algorithms.

21 January 2018

1 reference

Effects of the fixed end in single-molecule imaging techniques: A replica-exchange molecular dynamics simulation study

21 January 2018

1 reference

21 January 2018

Identifiers

DOI

10.1063/1.3669385

1 reference

5 April 2018

1 reference

5 April 2018