A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
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Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailAn electrostatic mechanism for Ca(2+)-mediated regulation of gap junction channels.Key diffusion mechanisms involved in regulating bidirectional water permeation across E. coli outer membrane lectinComputational support for a scaffolding mechanism of centriole assembly.Substrate tunnels in enzymes: structure-function relationships and computational methodologyInteracting ions in biophysics: real is not idealMechanisms of permeation and selectivity in calcium channelsMolecular dynamics simulations of membrane proteins under asymmetric ionic concentrations.Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores.Analysis and evaluation of channel models: simulations of alamethicin.Gating of Connexin Channels by transjunctional-voltage: Conformations and models of open and closed states.Modeling and simulation of ion channels.BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in NanoporesContinuum electrostatics fails to describe ion permeation in the gramicidin channel.Imaging the electrostatic potential of transmembrane channels: atomic probe microscopy of OmpF porinA repulsive electrostatic mechanism for protein export through the type III secretion apparatus.Ion selectivity of alpha-hemolysin with beta-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations.Ion selectivity of alpha-hemolysin with a beta-cyclodextrin adapter. I. Single ion potential of mean force and diffusion coefficientSide-chain conformation at the selectivity filter shapes the permeation free-energy landscape of an ion channel.Model channel ion currents in NaCl-extended simple point charge water solution with applied-field molecular dynamicsReservoir boundaries in Brownian dynamics simulations of ion channels.Bridging implicit and explicit solvent approaches for membrane electrostatics.The role of the dielectric barrier in narrow biological channels: a novel composite approach to modeling single-channel currentsResidue ionization and ion transport through OmpF channels.Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theoryIon transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.The influence of amino acid protonation states on molecular dynamics simulations of the bacterial porin OmpF.Brownian dynamics simulations of ion transport through the VDAC.Electrostatic properties of the mechanosensitive channel of small conductance MscS.Voltage regulation of connexin channel conductance.Molecular basis of voltage gating of OmpF porin.Magic angle spinning nuclear magnetic resonance characterization of voltage-dependent anion channel gating in two-dimensional lipid crystalline bilayersA smoothly decoupled particle interface: new methods for coupling explicit and implicit solventLangevin dynamics simulations of charged model phosphatidylinositol lipids in the presence of diffusion barriers: toward an atomic level understanding of corralling of PIP2 by protein fences in biological membranes.Molecular dynamics simulations of the Cx26 hemichannel: evaluation of structural models with Brownian dynamics.The simulation approach to bacterial outer membrane proteins.Molecular dynamics simulations of the Cx26 hemichannel: insights into voltage-dependent loop-gatingAtoms-to-microns model for small solute transport through sticky nanochannels.Voltage-dependent conformational changes in connexin channelsSimulating Current-Voltage Relationships for a Narrow Ion Channel Using the Weighted Ensemble Method.
P2860
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P2860
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
description
2000 nî lūn-bûn
@nan
2000年の論文
@ja
2000年論文
@yue
2000年論文
@zh-hant
2000年論文
@zh-hk
2000年論文
@zh-mo
2000年論文
@zh-tw
2000年论文
@wuu
2000年论文
@zh
2000年论文
@zh-cn
name
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
@en
type
label
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
@en
prefLabel
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
@en
P2093
P2860
P1433
P1476
A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels.
@en
P2093
P2860
P304
P356
10.1016/S0006-3495(00)76336-3
P407
P577
2000-08-01T00:00:00Z