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Systematic coarse-graining methods for soft matter simulations – a review

Systematic coarse-graining methods for soft matter simulations – a review

http://www.wikidata.org/entity/Q58820898

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Necessity of high-resolution for coarse-grained modeling of flexible proteins.The power of coarse graining in biomolecular simulations.CAMELOT: A machine learning approach for coarse-grained simulations of aggregation of block-copolymeric protein sequences.On the nature of interactions between ionic liquids and small amino-acid-based biomolecules.Transferability of a coarse-grained atactic polystyrene model: the non-bonded potential effect.Perspective: Dissipative particle dynamics.Hierarchical atom type definitions and extensible all-atom force fields.Mori-Zwanzig theory for dissipative forces in coarse-grained dynamics in the Markov limit.A temperature-dependent coarse-grained model for the thermoresponsive polymer poly(N-isopropylacrylamide).Transferability of the coarse-grained potentials for trans-1,4-polybutadiene.Effects of Coarse Graining and Saturation of Hydrocarbon Chains on Structure and Dynamics of Simulated Lipid Molecules.Onset of static and dynamic universality among molecular models of polymers The impact of resolution upon entropy and information in coarse-grained models.Consistent coarse-graining strategy for polymer solutions in the thermal crossover from good to θ solvent.Understanding and Designing the Gold-Bio Interface: Insights from Simulations.Computing the non-Markovian coarse-grained interactions derived from the Mori-Zwanzig formalism in molecular systems: Application to polymer melts.Transferable coarse-grained model for perfluorosulfonic acid polymer membranes.Extending pressure-matching to inhomogeneous systems via local-density potentials.Melt-phase behavior of collapsed PMMA/PVC chains revealed by multiscale simulations.Thermodynamics of atomistic and coarse-grained models of water on nonpolar surfaces.The "sugar" coarse-grained DNA model.Getting excited: challenges in quantum-classical studies of excitons in polymeric systems.Extending the range and physical accuracy of coarse-grained models: Order parameter dependent interactions.Local and global dynamics of multi-resolved polymer chains: Effects of the interactions atoms-beads on the dynamic of the chains.Role of Dynamic Heterogeneities in Ionic Liquids: Insights from All-Atom and Coarse-Grained Molecular Dynamics Simulation Studies.Bottom-up coarse-grained models with predictive accuracy and transferability for both structural and thermodynamic properties of heptane-toluene mixtures.Energy-conserving coarse-graining of complex molecules.Multi-particle collision dynamics algorithm for nematic fluids.Systematic and simulation-free coarse graining of homopolymer melts: a relative-entropy-based study.Communication: Pseudoisomorphs in liquids with intramolecular degrees of freedom.Accurate coarse-grained models for mixtures of colloids and linear polymers under good-solvent conditions.Construction of dissipative particle dynamics models for complex fluids via the Mori-Zwanzig formulation.On the representability problem and the physical meaning of coarse-grained models.Bottom-up coarse-grained models that accurately describe the structure, pressure, and compressibility of molecular liquids.Polymers in focus: fluorescence correlation spectroscopy Computer Simulations of Soft Matter: Linking the Scales A Review of Multiscale Computational Methods in Polymeric Materials Multiscale simulation for thermo-hydrodynamic lubrication of a polymeric liquid between parallel plates Challenges in Multiscale Modeling of Polymer Dynamics

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Systematic coarse-graining methods for soft matter simulations – a review

http://www.wikidata.org/entity/Q58820898

description

article

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im Januar 2013 veröffentlichter wissenschaftlicher Artikel

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wetenschappelijk artikel

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наукова стаття, опублікована у 2013

@uk

name

Systematic coarse-graining methods for soft matter simulations – a review

@en

Systematic coarse-graining methods for soft matter simulations – a review

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type

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Systematic coarse-graining methods for soft matter simulations – a review

@en

Systematic coarse-graining methods for soft matter simulations – a review

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prefLabel

Systematic coarse-graining methods for soft matter simulations – a review

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Systematic coarse-graining methods for soft matter simulations – a review

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Systematic coarse-graining methods for soft matter simulations – a review

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P2093

Chunli Li

http://www.w3.org/2001/XMLSchema#string

Elena A. Algaer

http://www.w3.org/2001/XMLSchema#string

Emiliano Brini

http://www.w3.org/2001/XMLSchema#string

Francisco Rodríguez-Ropero

http://www.w3.org/2001/XMLSchema#string

Nico F. A. van der Vegt

http://www.w3.org/2001/XMLSchema#string

Pritam Ganguly

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P2860

Comparison of simple potential functions for simulating liquid water

Interactions between macromolecules and ions: The Hofmeister series

A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

The missing term in effective pair potentials

The MARTINI force field: coarse grained model for biomolecular simulations

A biomolecular force field based on the free enthalpy of hydration and solvation: the GROMOS force-field parameter sets 53A5 and 53A6

On the investigation of coarse-grained models for water: balancing computational efficiency and the retention of structural properties.

A systematically coarse-grained solvent-free model for quantitative phospholipid bilayer simulations

Chemically accurate coarse graining of double-stranded DNA.

The search for the hydrophobic force law.

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2108-2119

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scholarly article

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10.1039/C2SM27201F

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7

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9

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2013-01-01T00:00:00Z

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