Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
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Adaptively Restrained Particle SimulationsRelative entropy as a universal metric for multiscale errorsDual-resolution molecular dynamics simulation of antimicrobials in biomembranesAdaptive resolution simulation of a biomolecule and its hydration shell: Structural and dynamical properties.Hierarchical Multiscale Modeling of Macromolecules and their AssembliesAlgorithmic dimensionality reduction for molecular structure analysisOrder and interactions in DNA arrays: Multiscale molecular dynamics simulation.Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsDerivation of coarse-grained potentials via multistate iterative Boltzmann inversion.Mesoscale computational studies of membrane bilayer remodeling by curvature-inducing proteins.Relative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA.Reduced atomic pair-interaction design (RAPID) model for simulations of proteins.Phenomenology based multiscale models as tools to understand cell membrane and organelle morphologies.Adaptive Resolution Simulation of Supramolecular Water: The Concurrent Making, Breaking, and Remaking of Water BundlesClassical electrostatics for biomolecular simulations.Multiscale simulation of soft matter systems.Recent advances in transferable coarse-grained modeling of proteins.Lipid simulations: a perspective on lipids in action.Self-assembly of polypeptide-based copolymers into diverse aggregates.Perspective: Coarse-grained models for biomolecular systems.Reaching new levels of realism in modeling biological macromolecules in cellular environments.Structure-based coarse-graining for inhomogeneous liquid polymer systems.Mesoscopic Adaptive Resolution Scheme toward Understanding of Interactions between Sickle Cell Fibers.Reference state for the generalized Yvon-Born-Green theory: application for coarse-grained model of hydrophobic hydration.Simulations of inorganic-bioorganic interfaces to discover new materials: insights, comparisons to experiment, challenges, and opportunities.Modeling and simulation of protein-surface interactions: achievements and challenges.Multiscale simulation of molecular processes in cellular environments.A multiscale approach to sampling nascent peptide chains in the ribosomal exit tunnel.Systematic evaluation of bundled SPC water for biomolecular simulations.Combining the Fluctuating Charge Method, Non-Periodic Boundary Conditions and Meta-Dynamics: Aqua Ions as case studies.Characterizing protein energy landscape by self-learning multiscale simulations: application to a designed β-hairpin.An N log N approximation based on the natural organization of biomolecules for speeding up the computation of long range interactions.Coupling different levels of resolution in molecular simulations.Systematic coarse-graining of molecular models by the Newton inversion method.A general method for spatially coarse-graining Metropolis Monte Carlo simulations onto a lattice.From molecular systems to continuum solids: A multiscale structure and dynamics.Self-learning multiscale simulation for achieving high accuracy and high efficiency simultaneously.Numerical coarse-graining of fluid field theories.Coarse-graining errors and numerical optimization using a relative entropy framework.From classical to quantum and back: Hamiltonian adaptive resolution path integral, ring polymer, and centroid molecular dynamics.
P2860
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P2860
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on January 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@en
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@nl
type
label
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@en
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@nl
prefLabel
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@en
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@nl
P2093
P1476
Multiscale simulation of soft matter: from scale bridging to adaptive resolution.
@en
P2093
Kurt Kremer
Luigi Delle Site
Matej Praprotnik
P304
P356
10.1146/ANNUREV.PHYSCHEM.59.032607.093707
P577
2008-01-01T00:00:00Z