Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.
about
Computational analysis of membrane proteins: the largest class of drug targets.Modeling and simulation of ion channels.Ion conduction through MscS as determined by electrophysiology and simulation.Ultrashort single-walled carbon nanotubes in a lipid bilayer as a new nanopore sensor.Stability and dynamics of membrane-spanning DNA nanopores.A repulsive electrostatic mechanism for protein export through the type III secretion apparatus.A one-dimensional dipole lattice model for water in narrow nanopores.Ion Rejection by Nanoporous Membranes in Pressure-Driven Molecular Dynamics Simulations.Confined water inside single-walled carbon nanotubes: global phase diagram and effect of finite length.Synthetic chloride-selective carbon nanotubes examined by using molecular and stochastic dynamics.Bridging the gap between structural models of nicotinic receptor superfamily ion channels and their corresponding functional statesMolecular restraints in the permeation pathway of ion channels.A mechanical nanogate based on a carbon nanotube for reversible control of ion conduction.Microscopic properties of nanopore water from its time-dependent dielectric response.Effects of electric fields on proton transport through water chains.Ionic transport through sub-10 nm diameter hydrophobic high-aspect ratio nanopores: experiment, theory and simulation.Designing biomimetic pores based on carbon nanotubesSingle-file water in nanopores.A computational assessment of the permeability and salt rejection of carbon nanotube membranes and their application to water desalination.Theory and simulation of ion conduction in the pentameric GLIC channelSynthetic nanopores as a test case for ion channel theories: the anomalous mole fraction effect without single filingBubbles, gating, and anesthetics in ion channelsIon exclusion by sub-2-nm carbon nanotube pores.Pore-opening mechanism of the nicotinic acetylcholine receptor evinced by proton transfer.Functional Annotation of Ion Channel Structures by Molecular Simulation.What have we learnt about the mechanisms of rapid water transport, ion rejection and selectivity in nanopores from molecular simulation?Multiscale modeling of a rectifying bipolar nanopore: explicit-water versus implicit-water simulations.Synthetic cation-selective nanotube: permeant cations chaperoned by anions.Pore size matters for potassium channel conductance.Molecular dispersion energy parameters for alkali and halide ions in aqueous solution.Simulations of electrophoretic RNA transport through transmembrane carbon nanotubes.Not only enthalpy: large entropy contribution to ion permeation barriers in single-file channels.Free energy for the permeation of Na(+) and Cl(-) ions and their ion-pair through a zwitterionic dimyristoyl phosphatidylcholine lipid bilayer by umbrella integration with harmonic fourier beads.Molecular dynamics simulations of ion transport through carbon nanotubes. II. Structural effects of the nanotube radius, solute concentration, and applied electric fields.Anomalous ion transport in 2-nm hydrophilic nanochannels.Accelerating water transport through a charged SWCNT: a molecular dynamics simulation.Generalized gradient-augmented harmonic Fourier beads method with multiple atomic and/or center-of-mass positional restraints.Mechanism of ion permeation through a model channel: roles of energetic and entropic contributions.Voltage-activated transport of ions through single-walled carbon nanotubes.A molecular dynamics investigation of the influence of water structure on ion conduction through a carbon nanotube.
P2860
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P2860
Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.
description
2005 nî lūn-bûn
@nan
2005 թուականի Յուլիսին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի հուլիսին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Ion transport through membrane ...... m electrostatics calculations.
@ast
Ion transport through membrane ...... m electrostatics calculations.
@en
Ion transport through membrane ...... m electrostatics calculations.
@nl
type
label
Ion transport through membrane ...... m electrostatics calculations.
@ast
Ion transport through membrane ...... m electrostatics calculations.
@en
Ion transport through membrane ...... m electrostatics calculations.
@nl
prefLabel
Ion transport through membrane ...... m electrostatics calculations.
@ast
Ion transport through membrane ...... m electrostatics calculations.
@en
Ion transport through membrane ...... m electrostatics calculations.
@nl
P2860
P1433
P1476
Ion transport through membrane ...... m electrostatics calculations.
@en
P2093
Christine Peter
P2860
P304
P356
10.1529/BIOPHYSJ.105.065946
P407
P577
2005-07-08T00:00:00Z