A new coarse-grained model for water: the importance of electrostatic interactions.
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Modeling and simulation of ion channels.Molecular simulation of water and hydration effects in different environments: challenges and developments for DFTB based modelsCoarse-Grained Molecular Models of Water: A Review.Reconciling structural and thermodynamic predictions using all-atom and coarse-grain force fields: the case of charged oligo-arginine translocation into DMPC bilayersThe power of coarse graining in biomolecular simulations.Further optimization of a hybrid united-atom and coarse-grained force field for folding simulations: Improved backbone hydration and interactions between charged side chains.Quantum Mechanics/Molecular Mechanics Method Combined with Hybrid All-Atom and Coarse-Grained Model: Theory and Application on Redox Potential Calculations.Classical electrostatics for biomolecular simulations.Automated optimization of water-water interaction parameters for a coarse-grained model.Recent advances in transferable coarse-grained modeling of proteins.Perspective on the Martini model.Perspective: Coarse-grained models for biomolecular systems.Computational studies of peptide-induced membrane pore formation.Extension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostatics.Simulating water with rigid non-polarizable models: a general perspective.Angle-resolved effective potentials for disk-shaped molecules.Transport and dielectric properties of water and the influence of coarse-graining: comparing BMW, SPC/E, and TIP3P models.Structural and kinetic considerations on the catalysis of deoxyarbutin by tyrosinase.Coarse grained molecular dynamics simulation of nanoconfined water.Systematic derivation of implicit solvent models for the study of polymer collapse.Non-conformal coarse-grained potentials for water.Thermodynamic and structural signatures of water-driven methane-methane attraction in coarse-grained mW water.Two-bead polarizable water models combined with a two-bead multipole force field (TMFF) for coarse-grained simulation of proteins.Protein simulation using coarse-grained two-bead multipole force field with polarizable water models.Understanding the curvature effect of silica nanoparticles on lysozyme adsorption orientation and conformation: a mesoscopic coarse-grained simulation study.An analytical coarse-graining method which preserves the free energy, structural correlations, and thermodynamic state of polymer melts from the atomistic to the mesoscale.The multiscale coarse-graining method. XI. Accurate interactions based on the centers of charge of coarse-grained sites.Effect of lipid head group interactions on membrane properties and membrane-induced cationic β-hairpin folding.Triphenylalanine peptides self-assemble into nanospheres and nanorods that are different from the nanovesicles and nanotubes formed by diphenylalanine peptides.A simple, efficient polarizable coarse-grained water model for molecular dynamics simulationsAdaptive resolution simulation of polarizable supramolecular coarse-grained water modelsComputational Approaches for Studying Drug Binding Kinetics
P2860
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P2860
A new coarse-grained model for water: the importance of electrostatic interactions.
description
2010 nî lūn-bûn
@nan
2010年の論文
@ja
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
A new coarse-grained model for water: the importance of electrostatic interactions.
@en
A new coarse-grained model for water: the importance of electrostatic interactions.
@nl
type
label
A new coarse-grained model for water: the importance of electrostatic interactions.
@en
A new coarse-grained model for water: the importance of electrostatic interactions.
@nl
prefLabel
A new coarse-grained model for water: the importance of electrostatic interactions.
@en
A new coarse-grained model for water: the importance of electrostatic interactions.
@nl
P356
P1476
A new coarse-grained model for water: the importance of electrostatic interactions
@en
P2093
Arun Yethiraj
P304
10524-10529
P356
10.1021/JP1019763
P407
P50
P577
2010-08-01T00:00:00Z