Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system
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Design and application of implicit solvent models in biomolecular simulationsSolvating atomic level fine-grained proteins in supra-molecular level coarse-grained water for molecular dynamics simulations.Classical electrostatics for biomolecular simulations.Multi-resolution simulation of biomolecular systems: a review of methodological issues.Improved accuracy of hybrid atomistic/coarse-grained simulations using reparametrised interactions.Solvation free energies and partition coefficients with the coarse-grained and hybrid all-atom/coarse-grained MARTINI models.Single-pass incremental force updates for adaptively restrained molecular dynamics.Hybrid All-Atom/Coarse-Grained Simulations of Proteins by Direct Coupling of CHARMM and PRIMO Force Fields.Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.Hydration Properties and Solvent Effects for All-Atom Solutes in Polarizable Coarse-Grained Water.
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Mixing coarse-grained and fine-grained water in molecular dynamics simulations of a single system
description
article
@en
im Juli 2012 veröffentlichter wissenschaftlicher Artikel
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wetenschappelijk artikel
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наукова стаття, опублікована в липні 2012
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name
Mixing coarse-grained and fine ...... simulations of a single system
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Mixing coarse-grained and fine ...... simulations of a single system
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type
label
Mixing coarse-grained and fine ...... simulations of a single system
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Mixing coarse-grained and fine ...... simulations of a single system
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prefLabel
Mixing coarse-grained and fine ...... simulations of a single system
@en
Mixing coarse-grained and fine ...... simulations of a single system
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P2860
P356
P1476
Mixing coarse-grained and fine ...... simulations of a single system
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P2093
Wilfred F van Gunsteren
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P304
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10.1063/1.4739068
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P577
2012-07-01T00:00:00Z