Many-body polarization effects and the membrane dipole potential.
about
Recent Developments and Applications of the CHARMM force fieldsAn Empirical Polarizable Force Field Based on the Classical Drude Oscillator Model: Development History and Recent ApplicationsForce Field for Peptides and Proteins based on the Classical Drude OscillatorCHARMM additive and polarizable force fields for biophysics and computer-aided drug designCharge equilibration force fields for molecular dynamics simulations of lipids, bilayers, and integral membrane protein systems.Modeling and simulation of ion channels.Polarizable intermolecular potentials for water and benzene interacting with halide and metal ions.A polarizable force field of dipalmitoylphosphatidylcholine based on the classical Drude model for molecular dynamics simulations of lipids.The Polarizable Atomic Multipole-based AMOEBA Force Field for Proteins.Simulating Monovalent and Divalent Ions in Aqueous Solution Using a Drude Polarizable Force Field.Electrostatics of deformable lipid membranes.Disruption and formation of surface salt bridges are coupled to DNA binding by the integration host factor: a computational analysisDevelopment of the CHARMM Force Field for Lipids.Influence of the membrane dipole potential on peptide binding to lipid bilayers.Determination of membrane-insertion free energies by molecular dynamics simulations.Derivation and systematic validation of a refined all-atom force field for phosphatidylcholine lipidsRepresentation of Ion-Protein Interactions Using the Drude Polarizable Force-Field.Current status of protein force fields for molecular dynamics simulations.Molecular dynamics simulation of hydrated DPPC monolayers using charge equilibration force fieldsMolecular dynamics simulations of membrane channels and transportersCharge equilibration force fields for lipid environments: applications to fully hydrated DPPC bilayers and DMPC-embedded gramicidin A.Classical electrostatics for biomolecular simulations.The polarizable point dipoles method with electrostatic damping: implementation on a model system.Drude Polarizable Force Field for Molecular Dynamics Simulations of Saturated and Unsaturated Zwitterionic LipidsExtension of CAVS coarse-grained model to phospholipid membranes: The importance of electrostatics.Polarization effects in molecular mechanical force fieldsThe dipole potential correlates with lipid raft markers in the plasma membrane of living cells.An averaged polarizable potential for multiscale modeling in phospholipid membranes.Efficient minimization of multipole electrostatic potentials in torsion space.In silico assessment of the conduction mechanism of the Ryanodine Receptor 1 reveals previously unknown exit pathways.Simulations of lipid bilayers using the CHARMM36 force field with the TIP3P-FB and TIP4P-FB water modelsWater order profiles on phospholipid/cholesterol membrane bilayer surfaces
P2860
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P2860
Many-body polarization effects and the membrane dipole potential.
description
2009 nî lūn-bûn
@nan
2009 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2009 թվականի մարտին հրատարակված գիտական հոդված
@hy
2009年の論文
@ja
2009年論文
@yue
2009年論文
@zh-hant
2009年論文
@zh-hk
2009年論文
@zh-mo
2009年論文
@zh-tw
2009年论文
@wuu
name
Many-body polarization effects and the membrane dipole potential.
@ast
Many-body polarization effects and the membrane dipole potential.
@en
type
label
Many-body polarization effects and the membrane dipole potential.
@ast
Many-body polarization effects and the membrane dipole potential.
@en
prefLabel
Many-body polarization effects and the membrane dipole potential.
@ast
Many-body polarization effects and the membrane dipole potential.
@en
P2093
P2860
P356
P1476
Many-body polarization effects and the membrane dipole potential.
@en
P2093
Alexander D Mackerell
Benoît Roux
Edward Harder
P2860
P304
P356
10.1021/JA806825G
P407
P577
2009-03-01T00:00:00Z