- Home
- Publications
- Publication Search
- Publication Details
Title
Adaptive resolution simulation in equilibrium and beyond
Authors
Keywords
European Physical Journal Special Topic, Radial Distribution Function, Thermodynamic Force, Atomistic Region, Hybrid Region
Journal
European Physical Journal-Special Topics
Volume 224, Issue 12, Pages 2269-2287
Publisher
Springer Nature
Online
2015-06-22
DOI
10.1140/epjst/e2015-02411-2
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Adaptive resolution simulation of an atomistic protein in MARTINI water
- (2014) Julija Zavadlav et al. JOURNAL OF CHEMICAL PHYSICS
- Chemical potential of liquids and mixtures via adaptive resolution simulation
- (2014) Animesh Agarwal et al. JOURNAL OF CHEMICAL PHYSICS
- Resolution-Adapted All-Atomic and Coarse-Grained Model for Biomolecular Simulations
- (2014) Lin Shen et al. Journal of Chemical Theory and Computation
- Adaptive Resolution Simulation of MARTINI Solvents
- (2014) Julija Zavadlav et al. Journal of Chemical Theory and Computation
- Exploring the Conformational Dynamics of Alanine Dipeptide in Solution Subjected to an External Electric Field: A Nonequilibrium Molecular Dynamics Simulation
- (2014) Han Wang et al. Journal of Chemical Theory and Computation
- What is a Multiscale Problem in Molecular Dynamics?
- (2013) Luigi Site Entropy
- Zero-multipole summation method for efficiently estimating electrostatic interactions in molecular system
- (2013) Ikuo Fukuda JOURNAL OF CHEMICAL PHYSICS
- Cloud-based simulations on Google Exacycle reveal ligand modulation of GPCR activation pathways
- (2013) Kai J. Kohlhoff et al. Nature Chemistry
- Adaptive resolution simulation of salt solutions
- (2013) Staš Bevc et al. NEW JOURNAL OF PHYSICS
- Hamiltonian Adaptive Resolution Simulation for Molecular Liquids
- (2013) Raffaello Potestio et al. PHYSICAL REVIEW LETTERS
- EMMA: A Software Package for Markov Model Building and Analysis
- (2012) Martin Senne et al. Journal of Chemical Theory and Computation
- Adaptive Resolution Simulation (AdResS): A Smooth Thermodynamic and Structural Transition from Atomistic to Coarse Grained Resolution and Vice Versa in a Grand Canonical Fashion
- (2012) Han Wang et al. Journal of Chemical Theory and Computation
- Estimating the Eigenvalue Error of Markov State Models
- (2012) Natasa Djurdjevac et al. MULTISCALE MODELING & SIMULATION
- Adaptive resolution molecular dynamics simulation through coupling to an internal particle reservoir
- (2012) S. Fritsch et al. PHYSICAL REVIEW LETTERS
- Molecular dynamics scheme for precise estimation of electrostatic interaction via zero-dipole summation principle
- (2011) Ikuo Fukuda et al. JOURNAL OF CHEMICAL PHYSICS
- Markov state models based on milestoning
- (2011) Christof Schütte et al. JOURNAL OF CHEMICAL PHYSICS
- Markov models of molecular kinetics: Generation and validation
- (2011) Jan-Hendrik Prinz et al. JOURNAL OF CHEMICAL PHYSICS
- Probing molecular kinetics with Markov models: metastable states, transition pathways and spectroscopic observables
- (2011) Jan-Hendrik Prinz et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Comment on “Adaptive Multiscale Molecular Dynamics of Macromolecular Fluids”
- (2011) M. Praprotnik et al. PHYSICAL REVIEW LETTERS
- Thermodynamic stability of soft-core Lennard-Jones fluids and their mixtures
- (2010) D. M. Heyes JOURNAL OF CHEMICAL PHYSICS
- Coupling different levels of resolution in molecular simulations
- (2010) Simón Poblete et al. JOURNAL OF CHEMICAL PHYSICS
- On the Approximation Quality of Markov State Models
- (2010) Marco Sarich et al. MULTISCALE MODELING & SIMULATION
- Adaptive Multiscale Molecular Dynamics of Macromolecular Fluids
- (2010) Steven O. Nielsen et al. PHYSICAL REVIEW LETTERS
- Classical to Path-Integral Adaptive Resolution in Molecular Simulation: Towards a Smooth Quantum-Classical Coupling
- (2010) A. B. Poma et al. PHYSICAL REVIEW LETTERS
- Comparative atomistic and coarse-grained study of water: What do we lose by coarse-graining?
- (2009) Han Wang et al. EUROPEAN PHYSICAL JOURNAL E
- Coupling atomistic and continuum hydrodynamics through a mesoscopic model: Application to liquid water
- (2009) Rafael Delgado-Buscalioni et al. JOURNAL OF CHEMICAL PHYSICS
- Constructing the equilibrium ensemble of folding pathways from short off-equilibrium simulations
- (2009) Frank Noé et al. PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
- Multiscale Simulation of Soft Matter: From Scale Bridging to Adaptive Resolution
- (2007) Matej Praprotnik et al. Annual Review of Physical Chemistry
Become a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get StartedAsk a Question. Answer a Question.
Quickly pose questions to the entire community. Debate answers and get clarity on the most important issues facing researchers.
Get Started