Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
about
Adaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.Order and interactions in DNA arrays: Multiscale molecular dynamics simulation.Perspective: Coarse-grained models for biomolecular systems.Computational electrochemistry: prediction of liquid-phase reduction potentials.Hybrid molecular-continuum simulations using smoothed dissipative particle dynamics.Chemical potential of liquids and mixtures via adaptive resolution simulation.Coupling discrete and continuum concentration particle models for multiscale and hybrid molecular-continuum simulations.From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.Adaptive resolution simulations coupling atomistic water to dissipative particle dynamics.Adaptive resolution simulations of biomolecular systems.Path integral-GC-AdResS simulation of a large hydrophobic solute in water: a tool to investigate the interplay between local microscopic structures and quantum delocalization of atoms in space.Towards open boundary molecular dynamics simulation of ionic liquids.Thermodynamics of adaptive molecular resolution.Using force-based adaptive resolution simulations to calculate solvation free energies of amino acid sidechain analogues.Hybrid particle-continuum simulations coupling Brownian dynamics and local dynamic density functional theory.Adaptive resolution simulation of oligonucleotides.Adaptive molecular resolution approach in Hamiltonian form: An asymptotic analysis.Simulation of macromolecular liquids with the adaptive resolution molecular dynamics technique.C-IBI: Targeting cumulative coordination within an iterative protocol to derive coarse-grained models of (multi-component) complex fluids.Path integral molecular dynamics within the grand canonical-like adaptive resolution technique: Simulation of liquid water.Investigation of interphase effects in silica-polystyrene nanocomposites based on a hybrid molecular-dynamics-finite-element simulation framework.A multi-resolution model to capture both global fluctuations of an enzyme and molecular recognition in the ligand-binding site.Hamiltonian adaptive resolution simulation for molecular liquids.Adaptive resolution simulation of polarizable supramolecular coarse-grained water modelsThe relative entropy is fundamental to adaptive resolution simulationsComputer Simulations of Soft Matter: Linking the ScalesA Review of Multiscale Computational Methods in Polymeric MaterialsAdvantages and challenges in coupling an ideal gas to atomistic models in adaptive resolution simulationsStatistical mechanics of Hamiltonian adaptive resolution simulationsComputer simulation of particles with position-dependent massMonte Carlo Adaptive Resolution Simulation of Multicomponent Molecular Liquids
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P2860
Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
description
article publié dans la revue scientifique Physical Review Letters
@fr
im April 2012 veröffentlichter wissenschaftlicher Artikel
@de
scientific article published in Physical Review Letters
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wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2012
@uk
name
Adaptive resolution molecular ...... an internal particle reservoir
@en
Adaptive resolution molecular ...... an internal particle reservoir
@nl
type
label
Adaptive resolution molecular ...... an internal particle reservoir
@en
Adaptive resolution molecular ...... an internal particle reservoir
@nl
prefLabel
Adaptive resolution molecular ...... an internal particle reservoir
@en
Adaptive resolution molecular ...... an internal particle reservoir
@nl
P2093
P2860
P1476
Adaptive resolution molecular ...... an internal particle reservoir
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P2093
P2860
P304
P356
10.1103/PHYSREVLETT.108.170602
P407
P577
2012-04-27T00:00:00Z