The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.
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Bridging between NMA and Elastic Network Models: Preserving All-Atom Accuracy in Coarse-Grained Models"Fluctuograms" reveal the intermittent intra-protein communication in subtilisin Carlsberg and correlate mechanical coupling with co-evolutionA comparison of reduced coordinate sets for describing protein structure.Identifying essential pairwise interactions in elastic network model using the alpha shape theory.Investigation of protein folding by coarse-grained molecular dynamics with the UNRES force fieldCoarse-grained force field: general folding theory.AWSEM-MD: protein structure prediction using coarse-grained physical potentials and bioinformatically based local structure biasing.Linear aggregation of proteins on the membrane as a prelude to membrane remodelingData-driven parameterization of the generalized Langevin equation.Multiscale coarse-graining of the protein energy landscapeNormal mode analysis of biomolecular structures: functional mechanisms of membrane proteins.Multiscale simulation of protein mediated membrane remodeling.A Hybrid Approach for Highly Coarse-grained Lipid Bilayer ModelsMonte Carlo, harmonic approximation, and coarse-graining approaches for enhanced sampling of biomolecular structure.Reconstructing protein remodeled membranes in molecular detail from mesoscopic modelsHierarchical coarse-graining strategy for protein-membrane systems to access mesoscopic scalesMultiscale computer simulation of the immature HIV-1 virion.Solvent-Free, Highly Coarse-Grained Models for Charged Lipid Systems.Recovering physical potentials from a model protein databankChemically accurate coarse graining of double-stranded DNA.The power of coarse graining in biomolecular simulations.Mesoscale computational studies of membrane bilayer remodeling by curvature-inducing proteins.MSCALE: A General Utility for Multiscale Modeling.A smoothly decoupled particle interface: new methods for coupling explicit and implicit solventCoarse-grained molecular dynamics simulation of DNA translocation in chemically modified nanopores.Atoms-to-microns model for small solute transport through sticky nanochannels.Multiscale simulation of microbe structure and dynamics.Multiscale reactive molecular dynamicsMicroscopic derivation of particle-based coarse-grained dynamics: Exact expression for memory function.Systematic multiscale simulation of membrane protein systems.On-the-fly free energy parameterization via temperature accelerated molecular dynamicsUnderstanding the role of amphipathic helices in N-BAR domain driven membrane remodelingQuantifying Membrane Curvature Generation of Drosophila Amphiphysin N-BAR Domains.Membrane binding and self-association of the epsin N-terminal homology domainSystematic coarse-graining of a multicomponent lipid bilayerProtein-mediated transformation of lipid vesicles into tubular networks.Solvent-free lipid bilayer model using multiscale coarse-graining.Coarse-graining RNA nanostructures for molecular dynamics simulations.The multiscale coarse-graining method. II. Numerical implementation for coarse-grained molecular models.Hybrid coarse-graining approach for lipid bilayers at large length and time scales.
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The multiscale coarse-graining method. I. A rigorous bridge between atomistic and coarse-grained models.
description
article científic
@ca
article scientifique
@fr
articolo scientifico
@it
artigo científico
@pt
bilimsel makale
@tr
scientific article published on June 2008
@en
vedecký článok
@sk
vetenskaplig artikel
@sv
videnskabelig artikel
@da
vědecký článek
@cs
name
The multiscale coarse-graining ...... tic and coarse-grained models.
@en
The multiscale coarse-graining ...... tic and coarse-grained models.
@nl
type
label
The multiscale coarse-graining ...... tic and coarse-grained models.
@en
The multiscale coarse-graining ...... tic and coarse-grained models.
@nl
prefLabel
The multiscale coarse-graining ...... tic and coarse-grained models.
@en
The multiscale coarse-graining ...... tic and coarse-grained models.
@nl
P2093
P2860
P356
P1476
The multiscale coarse-graining ...... tic and coarse-grained models.
@en
P2093
Avisek Das
Gary S Ayton
Hans C Andersen
Jhih-Wei Chu
Sergei Izvekov
P2860
P304
P356
10.1063/1.2938860
P407
P577
2008-06-01T00:00:00Z