Coarse grain models and the computer simulation of soft materials
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Heat conductivity of DNA double helixMaterials by numbers: computations as tools of discovery.On-the-fly coarse-graining methodology for the simulation of chain formation of superparamagnetic colloids in strong magnetic fields.Chemically accurate coarse graining of double-stranded DNA.Bilayer deformation by the Kv channel voltage sensor domain revealed by self-assembly simulations.Gay-Berne and electrostatic multipole based coarse-grain potential in implicit solvent.GPU-Accelerated Molecular Dynamics Simulation to Study Liquid Crystal Phase Transition Using Coarse-Grained Gay-Berne Anisotropic Potential.A Simulation Study of the Self-Assembly of Coarse-Grained Skin LipidsMesoscale simulations of curvature-inducing protein partitioning on lipid bilayer membranes in the presence of mean curvature fieldsMicroscopic derivation of particle-based coarse-grained dynamics: Exact expression for memory function.Biomolecular simulation and modelling: status, progress and prospects.Equation of state for a coarse-grained DPPC monolayer at the air/water interface.Fluorescence spectroscopy and molecular dynamics simulations in studies on the mechanism of membrane destabilization by antimicrobial peptides.Bioaccessibility of nutrients and micronutrients from dispersed food systems: impact of the multiscale bulk and interfacial structures.Perspective: Coarse-grained models for biomolecular systems.Lipid polymer hybrid as emerging tool in nanocarriers for oral drug delivery.Molecular Dynamics Simulations of the Host Defense Peptide Temporin L and Its Q3K Derivative: An Atomic Level View from Aggregation in Water to Bilayer Perturbation.Mori-Zwanzig theory for dissipative forces in coarse-grained dynamics in the Markov limit.Explicit all-atom modeling of realistically sized ligand-capped nanocrystals.Characterization, nanoparticle self-organization, and Monte Carlo simulation of magnetoliposomes.Insights into thermophilic archaebacterial membrane stability from simplified models of lipid membranes.Inversion of radial distribution functions to pair forces by solving the Yvon-Born-Green equation iteratively.The multiscale coarse-graining method. VIII. Multiresolution hierarchical basis functions and basis function selection in the construction of coarse-grained force fields.The multiscale coarse-graining method. X. Improved algorithms for constructing coarse-grained potentials for molecular systems.Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models.The multiscale coarse-graining method. III. A test of pairwise additivity of the coarse-grained potential and of new basis functions for the variational calculation.A molecular picture of motion in polyolefins.Theoretical reconstruction of realistic dynamics of highly coarse-grained cis-1,4-polybutadiene melts.The multiscale coarse-graining method. IX. A general method for construction of three body coarse-grained force fields.The adsorption-desorption transition of double-stranded DNA interacting with an oppositely charged dendrimer induced by multivalent anions.Coarse-grained ions without charges: reproducing the solvation structure of NaCl in water using short-ranged potentials.From molecular systems to continuum solids: A multiscale structure and dynamics.An efficient dissipative particle dynamics-based algorithm for simulating electrolyte solutions.Resolving a distribution of charge into intrinsic multipole moments: a rankwise distributed multipole analysis.The multiscale coarse-graining method. V. Isothermal-isobaric ensemble.Adaptive resolution molecular-dynamics simulation: changing the degrees of freedom on the fly.Incorporating a hydrophobic solid into a coarse grain liquid framework: graphite in an aqueous amphiphilic environment.Transferable coarse-grained model for perfluorosulfonic acid polymer membranes.Dynamics in coarse-grained models for oligomer-grafted silica nanoparticles.Phase behavior of patchy spheroidal fluids.
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Coarse grain models and the computer simulation of soft materials
description
article
@en
im April 2004 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована у квітні 2004
@uk
name
Coarse grain models and the computer simulation of soft materials
@en
Coarse grain models and the computer simulation of soft materials
@nl
type
label
Coarse grain models and the computer simulation of soft materials
@en
Coarse grain models and the computer simulation of soft materials
@nl
prefLabel
Coarse grain models and the computer simulation of soft materials
@en
Coarse grain models and the computer simulation of soft materials
@nl
P2093
P356
P1476
Coarse grain models and the computer simulation of soft materials
@en
P2093
Carlos F Lopez
Goundla Srinivas
Michael L Klein
Steve O Nielsen
P304
P356
10.1088/0953-8984/16/15/R03
P577
2004-04-02T00:00:00Z