Flexible simple point-charge water model with improved liquid-state properties.
about
Using molecular dynamics to quantify the electrical double layer and examine the potential for its direct observation in the in-situ TEMProtein-Ligand Electrostatic Binding Free Energies from Explicit and Implicit SolvationSimulations of a protein crystal with a high resolution X-ray structure: evaluation of force fields and water models.The transition mechanism of DNA overstretching: a microscopic view using molecular dynamics.Comparison of diffusion tensor imaging by cardiovascular magnetic resonance and gadolinium enhanced 3D image intensity approaches to investigation of structural anisotropy in explanted rat heartsEffect of lithium on the properties of a liquid crystal formed by sodium dodecylsulphate and decanol in aqueous solution.Dynamics of actinyl ions in water: a molecular dynamics simulation study.An extensible interface for QM/MM molecular dynamics simulations with AMBER.The ELBA force field for coarse-grain modeling of lipid membranesPoint charges optimally placed to represent the multipole expansion of charge distributions.Simulating realistic imaging conditions for in situ liquid microscopy.Liquid-state polaron theory of the hydrated electron revisited.Charge delocalization in proton channels, II: the synthetic LS2 channel and proton selectivity.Structural, dynamic, and electrostatic properties of fully hydrated DMPC bilayers from molecular dynamics simulations accelerated with graphical processing units (GPUs).Picosecond dissociation of amyloid fibrils with infrared laser: A nonequilibrium simulation study.Natural polarizability and flexibility via explicit valency: the case of water.Hydrated Excess Protons Can Create Their Own Water Wires.Multiscale reactive molecular dynamicsNanoscale analysis of the morphology and surface stability of calcium carbonate polymorphs.Proton solvation and transport in aqueous and biomolecular systems: insights from computer simulationsSolvent reaction field potential inside an uncharged globular protein: a bridge between implicit and explicit solvent models?Role of charge transfer in the structure and dynamics of the hydrated proton.Intercalated water layers promote thermal dissipation at bio-nano interfacesSimulations of a protein crystal: explicit treatment of crystallization conditions links theory and experiment in the streptavidin-biotin complex.Acid activation mechanism of the influenza A M2 proton channel.Molecular dynamics study of the RNA ring nanostructure: a phenomenon of self-stabilization.Dynamics of the streptavidin-biotin complex in solution and in its crystal lattice: distinct behavior revealed by molecular simulations.Virtual screening, optimization, and identification of a novel specific PTP-MEG2 Inhibitor with potential therapy for T2DM.Molecular dynamics of water in the neighborhood of aquaporins.Solvation free energies and hydration structure of N-methyl-p-nitroaniline.Reverse Monte Carlo modeling of liquid water with the explicit use of the SPC/E interatomic potential.Modeling Molecular Interactions in Water: From Pairwise to Many-Body Potential Energy Functions.Multi-Level Ewald: A hybrid multigrid / Fast Fourier Transform approach to the electrostatic particle-mesh problem.A Comprehensive Study of Molecular Evolution at the Self-Incompatibility Locus of Rosaceae.A polarizable reactive force field for water to enable molecular dynamics simulations of proton transport.Simulating water with rigid non-polarizable models: a general perspective.A modified two-state empirical valence bond model for proton transport in aqueous solutions.Accuracy limit of rigid 3-point water models.Structurally conserved channels in cyanobacterial and plant photosystem II.Simple liquid models with corrected dielectric constants
P2860
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P2860
Flexible simple point-charge water model with improved liquid-state properties.
description
2006 nî lūn-bûn
@nan
2006年の論文
@ja
2006年学术文章
@wuu
2006年学术文章
@zh-cn
2006年学术文章
@zh-hans
2006年学术文章
@zh-my
2006年学术文章
@zh-sg
2006年學術文章
@yue
2006年學術文章
@zh
2006年學術文章
@zh-hant
name
Flexible simple point-charge water model with improved liquid-state properties.
@en
Flexible simple point-charge water model with improved liquid-state properties.
@nl
type
label
Flexible simple point-charge water model with improved liquid-state properties.
@en
Flexible simple point-charge water model with improved liquid-state properties.
@nl
prefLabel
Flexible simple point-charge water model with improved liquid-state properties.
@en
Flexible simple point-charge water model with improved liquid-state properties.
@nl
P2860
P356
P1476
Flexible simple point-charge water model with improved liquid-state properties.
@en
P2093
Harald L Tepper
P2860
P304
P356
10.1063/1.2136877
P407
P577
2006-01-01T00:00:00Z