Revised charge equilibration potential for liquid alkanes.
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Lipid14: The Amber Lipid Force Field.Charge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.Accurate Calculation of Hydration Free Energies using Pair-Specific Lennard-Jones Parameters in the CHARMM Drude Polarizable Force Field.Polarizability rescaling and atom-based Thole scaling in the CHARMM Drude polarizable force field for ethers.Revised Charge Equilibration Parameters for More Accurate Hydration Free Energies of AlkanesPolarizable empirical force field for hexopyranose monosaccharides based on the classical Drude oscillator.Nonadditive empirical force fields for short-chain linear alcohols: methanol to butanol. Hydration free energetics and Kirkwood-Buff analysis using charge equilibration modelsBinding structures of tri-N-acetyl-β-glucosamine in hen egg white lysozyme using molecular dynamics with a polarizable force field.Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipidsMolecular dynamics simulations of a DMPC bilayer using nonadditive interaction models.Charge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.Molecular modeling and dynamics studies with explicit inclusion of electronic polarizability. Theory and applicationsIncorporation of charge transfer into the explicit polarization fragment method by grand canonical density functional theory.A polarizable empirical force field for molecular dynamics simulation of liquid hydrocarbons.Exploring ion permeation energetics in gramicidin A using polarizable charge equilibration force fields.Polarizable empirical force field for sulfur-containing compounds based on the classical Drude oscillator model.Phase-transfer energetics of small-molecule alcohols across the water-hexane interface: molecular dynamics simulations using charge equilibration models.ACKS2: atom-condensed Kohn-Sham DFT approximated to second order.Fully atomistic molecular-mechanical model of liquid alkane oils: Computational validation.
P2860
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P2860
Revised charge equilibration potential for liquid alkanes.
description
2008 nî lūn-bûn
@nan
2008 թուականի Յունիսին հրատարակուած գիտական յօդուած
@hyw
2008 թվականի հունիսին հրատարակված գիտական հոդված
@hy
2008年の論文
@ja
2008年論文
@yue
2008年論文
@zh-hant
2008年論文
@zh-hk
2008年論文
@zh-mo
2008年論文
@zh-tw
2008年论文
@wuu
name
Revised charge equilibration potential for liquid alkanes.
@ast
Revised charge equilibration potential for liquid alkanes.
@en
type
label
Revised charge equilibration potential for liquid alkanes.
@ast
Revised charge equilibration potential for liquid alkanes.
@en
prefLabel
Revised charge equilibration potential for liquid alkanes.
@ast
Revised charge equilibration potential for liquid alkanes.
@en
P356
P1476
Revised charge equilibration potential for liquid alkanes
@en
P2093
G Lee Warren
Joseph E Davis
P304
P356
10.1021/JP8003129
P407
P577
2008-06-21T00:00:00Z