Systematic coarse-graining of molecular models by the Newton inversion method.
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Coarse-Grained Molecular Models of Water: A Review.COFFDROP: A Coarse-Grained Nonbonded Force Field for Proteins Derived from All-Atom Explicit-Solvent Molecular Dynamics Simulations of Amino AcidsRelative Entropy and Optimization-Driven Coarse-Graining Methods in VOTCA.Perspective: Coarse-grained models for biomolecular systems.Multiscale Modelling of Bionano Interface.Thermodynamics of Hydrophobic Amino Acids in Solution: A Combined Experimental-Computational Study.Transferability of the coarse-grained potentials for trans-1,4-polybutadiene.Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid.How Water's Properties Are Encoded in Its Molecular Structure and Energies.A transferable coarse-grained model for diphenylalanine: how to represent an environment driven conformational transition.Effective solvent mediated potentials of Na+ and Cl- ions in aqueous solution: temperature dependence.Bottom-up construction of interaction models of non-Markovian dissipative particle dynamics.Fitting coarse-grained distribution functions through an iterative force-matching method.Coarse-graining errors and numerical optimization using a relative entropy framework.Extending pressure-matching to inhomogeneous systems via local-density potentials.A multi-state coarse grained modeling approach for an intrinsically disordered peptide.Coarse-graining entropy, forces, and structures.Bayesian parametrization of coarse-grain dissipative dynamics models.Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures.Systematic hierarchical coarse-graining with the inverse Monte Carlo method.Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study.Semi-bottom-up coarse graining of water based on microscopic simulations.Obtaining fully dynamic coarse-grained models from MD.Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids.Implicit-solvent dissipative particle dynamics force field based on a four-to-one coarse-grained mapping scheme.Polymers in focus: fluorescence correlation spectroscopyComputer Simulations of Soft Matter: Linking the ScalesInsight into nucleic acid counterion interactions from inside molecular dynamics simulations is “worth its salt”Systematic coarse-graining methods for soft matter simulations – a review
P2860
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P2860
Systematic coarse-graining of molecular models by the Newton inversion method.
description
2010 nî lūn-bûn
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2010年の論文
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2010年学术文章
@wuu
2010年学术文章
@zh
2010年学术文章
@zh-cn
2010年学术文章
@zh-hans
2010年学术文章
@zh-my
2010年学术文章
@zh-sg
2010年學術文章
@yue
2010年學術文章
@zh-hant
name
Systematic coarse-graining of molecular models by the Newton inversion method.
@en
Systematic coarse-graining of molecular models by the Newton inversion method.
@nl
type
label
Systematic coarse-graining of molecular models by the Newton inversion method.
@en
Systematic coarse-graining of molecular models by the Newton inversion method.
@nl
prefLabel
Systematic coarse-graining of molecular models by the Newton inversion method.
@en
Systematic coarse-graining of molecular models by the Newton inversion method.
@nl
P2860
P356
P1433
P1476
Systematic coarse-graining of molecular models by the Newton inversion method.
@en
P2093
Alexander Mirzoev
LiJun Chen
P2860
P304
43-56; discussion 93-110, 467-81
P356
10.1039/B901511F
P577
2010-01-01T00:00:00Z