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Relative entropy as a universal metric for multiscale errorsCoarse-grained free energy functions for studying protein conformational changes: a double-well network model.Four-scale description of membrane sculpting by BAR domainsOrder parameters for macromolecules: application to multiscale simulation.Interaction potentials from arbitrary multi-particle trajectory data.An Anisotropic Coarse-Grained Model for Proteins Based On Gay-Berne and Electric Multipole Potentials.Peptide aggregation and pore formation in a lipid bilayer: a combined coarse-grained and all atom molecular dynamics study.Multiscale coarse-graining of the protein energy landscapeZwitterionic lipid assemblies: molecular dynamics studies of monolayers, bilayers, and vesicles using a new coarse grain force fieldA Hybrid Approach for Highly Coarse-grained Lipid Bilayer ModelsHierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scalesCoarse-Grained Molecular Models of Water: A Review.Solvent-Free, Highly Coarse-Grained Models for Charged Lipid Systems.Recovering physical potentials from a model protein databankCOFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino AcidsMesoscale computational studies of membrane bilayer remodeling by curvature-inducing proteins.Point charges optimally placed to represent the multipole expansion of charge distributions.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventMembrane remodeling from N-BAR domain interactions: insights from multi-scale simulation.Coarse-grained peptide modeling using a systematic multiscale approachEfficient Exploration of Membrane-Associated Phenomena at Atomic Resolution.Accelerating membrane insertion of peripheral proteins with a novel membrane mimetic model.Predicting the DNA sequence dependence of nanopore ion current using atomic-resolution Brownian dynamics.Multiscale simulation of microbe structure and dynamics.Multiscale reactive molecular dynamicsMicroscopic derivation of particle-based coarse-grained dynamics: Exact expression for memory function.On-the-fly free energy parameterization via temperature accelerated molecular dynamicsA transferable coarse-grained model for hydrogen-bonding liquidsAtomic-level description of protein-lipid interactions using an accelerated membrane model.Systematic coarse-graining of a multicomponent lipid bilayerMultiscale coarse-graining and structural correlations: connections to liquid-state theory.Mechanosensitive channels: insights from continuum-based simulationsSolvent-free lipid bilayer model using multiscale coarse-graining.The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models.The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.Stochastic dynamics of bionanosystems: Multiscale analysis and specialized ensembles.Hybrid coarse-graining approach for lipid bilayers at large length and time scales.The multiscale coarse-graining method. IV. Transferring coarse-grained potentials between temperatures.Focused functional dynamics of supramolecules by use of a mixed-resolution elastic network model.Bayesian calibration of coarse-grained forces: Efficiently addressing transferability.
P2860
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P2860
description
im Oktober 2005 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 2005
@uk
name
Multiscale coarse graining of liquid-state systems
@en
Multiscale coarse graining of liquid-state systems
@nl
type
label
Multiscale coarse graining of liquid-state systems
@en
Multiscale coarse graining of liquid-state systems
@nl
prefLabel
Multiscale coarse graining of liquid-state systems
@en
Multiscale coarse graining of liquid-state systems
@nl
P356
P1476
Multiscale coarse graining of liquid-state systems
@en
P2093
Sergei Izvekov
P304
P356
10.1063/1.2038787
P407
P577
2005-10-01T00:00:00Z