Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.
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Charged residues distribution modulates selectivity of the open state of human isoforms of the voltage dependent anion-selective channelArtificial Brownian motors: Controlling transport on the nanoscaleAn implicit membrane generalized born theory for the study of structure, stability, and interactions of membrane proteins.Computational electrophysiology: the molecular dynamics of ion channel permeation and selectivity in atomistic detailCation-selective Pathway of OmpF Porin Revealed by Anomalous X-ray DiffractionStructural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorBThe Binding of Antibiotics in OmpF PorinA Structural Study of Ion Permeation in OmpF Porin from Anomalous X-ray Diffraction and Molecular Dynamics SimulationsIdentification of a cation transport pathway in Neisseria meningitidis PorBInteracting ions in biophysics: real is not idealMolecular basis of bacterial outer membrane permeability revisitedUnderstanding Voltage Gating of Providencia stuartii Porins at Atomic Level.Molecular 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.High resolution crystal structures and molecular dynamics studies reveal substrate binding in the porin Omp32.Second-order Poisson Nernst-Planck solver for ion channel transportModeling and simulation of ion channels.BROMOC-D: Brownian Dynamics/Monte-Carlo Program Suite to Study Ion and DNA Permeation in NanoporesPoisson-Nernst-Planck models of nonequilibrium ion electrodiffusion through a protegrin transmembrane pore.A 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 coefficientSimulation of charge transport in ion channels and nanopores with anisotropic permittivity.Testing the applicability of Nernst-Planck theory in ion channels: comparisons with Brownian dynamics simulations.Concentration dependent ion selectivity in VDAC: a molecular dynamics simulation study.Role of the dielectric constants of membrane proteins and channel water in ion permeation.Permeation across hydrated DPPC lipid bilayers: simulation of the titrable amphiphilic drug valproic acid.Residue ionization and ion transport through OmpF channels.SIMULATION OF ION CONDUCTION IN α-HEMOLYSIN NANOPORES WITH COVALENTLY ATTACHED β-CYCLODEXTRIN BASED ON BOLTZMANN TRANSPORT MONTE CARLO MODEL.Ionization states of residues in OmpF and mutants: effects of dielectric constant and interactions between residues.Finite element solution of the steady-state Smoluchowski equation for rate constant calculationsWater dynamics and dewetting transitions in the small mechanosensitive channel MscS.Salting out the ionic selectivity of a wide channel: the asymmetry of OmpFContinuum diffusion reaction rate calculations of wild-type and mutant mouse acetylcholinesterase: adaptive finite element analysis.Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theoryTheoretical studies of the M2 transmembrane segment of the glycine receptor: models of the open pore structure and current-voltage characteristics.Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations.Interaction of zwitterionic penicillins with the OmpF channel facilitates their translocation.Computational studies of protegrin antimicrobial peptides: a review.Molecular dynamics studies of ion permeation in VDAC.
P2860
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P2860
Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.
description
2002 nî lūn-bûn
@nan
2002年の論文
@ja
2002年学术文章
@wuu
2002年学术文章
@zh-cn
2002年学术文章
@zh-hans
2002年学术文章
@zh-my
2002年学术文章
@zh-sg
2002年學術文章
@yue
2002年學術文章
@zh
2002年學術文章
@zh-hant
name
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@en
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@nl
type
label
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@en
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@nl
prefLabel
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@en
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@nl
P1476
Ion permeation and selectivity ...... inuum electrodiffusion theory.
@en
P2093
Benoît Roux
P304
P356
10.1016/S0022-2836(02)00778-7
P407
P50
P577
2002-09-01T00:00:00Z