(Q34604743)

3 August 2017

1 reference

title

Theoretical and computational models of ion channels (English)

1 reference

3 August 2017

Benoît Roux

1

1 reference

3 August 2017

publication date

1 April 2002

1 reference

Current Opinion in Structural Biology

3 August 2017

published in

1 reference

3 August 2017

volume

12

1 reference

3 August 2017

issue

2

1 reference

3 August 2017

page(s)

182-189

1 reference

High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints

3 August 2017

cites work

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

General and specific porins from bacterial outer membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure of the MscL homolog from Mycobacterium tuberculosis: a gated mechanosensitive ion channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The Structure of the Potassium Channel: Molecular Basis of K+ Conduction and Selectivity

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Potassium channel receptor site for the inactivation gate and quaternary amine inhibitors

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Chemistry of ion coordination and hydration revealed by a K+ channel-Fab complex at 2.0 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Energetic optimization of ion conduction rate by the K+ selectivity filter

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure of the transmembrane region of the M2 protein H+ channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure and dynamics of ion transport through gramicidin A.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The binding site of sodium in the gramicidin A channel: comparison of molecular dynamics with solid-state NMR data

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Computational observation of an ion permeation through a channel protein

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Simulation study of a gramicidin/lipid bilayer system in excess water and lipid. I. Structure of the molecular complex

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Computational studies of the gramicidin channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

An alamethicin channel in a lipid bilayer: molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Voltage-dependent insertion of alamethicin at phospholipid/water and octane/water interfaces

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Exploring models of the influenza A M2 channel: MD simulations in a phospholipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Two possible conducting states of the influenza A virus M2 ion channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A molecular dynamics study of the pores formed by Escherichia coli OmpF porin in a fully hydrated palmitoyloleoylphosphatidylcholine bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structural determinants of MscL gating studied by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Molecular dynamics simulations of wild-type and mutant forms of the Mycobacterium tuberculosis MscL channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Potassium and sodium binding to the outer mouth of the K+ channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Ion permeation mechanism of the potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A computational study of ion binding and protonation states in the KcsA potassium channel.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Simulations of ion permeation through a potassium channel: molecular dynamics of KcsA in a phospholipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Water and potassium dynamics inside the KcsA K(+) channel.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Homology modeling and molecular dynamics simulation studies of an inward rectifier potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

K(+)/Na(+) selectivity of the KcsA potassium channel from microscopic free energy perturbation calculations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Potassium and sodium ions in a potassium channel studied by molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Molecular dynamics of the KcsA K(+) channel in a bilayer membrane

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Extracellular blockade of K(+) channels by TEA: results from molecular dynamics simulations of the KcsA channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Energetics of ion conduction through the K+ channel.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The ionization state and the conformation of Glu-71 in the KcsA K(+) channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The cavity and pore helices in the KcsA K+ channel: electrostatic stabilization of monovalent cations.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Statistical mechanical equilibrium theory of selective ion channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Ion channels, permeation, and electrostatics: insight into the function of KcsA.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Side-chain ionization states in a potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The theory of ion transport through membrane channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Study of ionic currents across a model membrane channel using Brownian dynamics

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Brownian dynamics simulation of ion flow through porin channels.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Role of charged residues at the OmpF porin channel constriction probed by mutagenesis and simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A Grand Canonical Monte Carlo-Brownian dynamics algorithm for simulating ion channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Brownian dynamics study of an open-state KcsA potassium channel.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Hierarchical approach to predicting permeation in ion channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A lattice relaxation algorithm for three-dimensional Poisson-Nernst-Planck theory with application to ion transport through the gramicidin A channel.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Three-dimensional Poisson-Nernst-Planck theory studies: influence of membrane electrostatics on gramicidin A channel conductance

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Tests of continuum theories as models of ion channels. I. Poisson-Boltzmann theory versus Brownian dynamics.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A combined molecular dynamics and diffusion model of single proton conduction through gramicidin

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Electrostatic properties of two porin channels from Escherichia coli

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Protonation of lysine residues inverts cation/anion selectivity in a model channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Molecular mechanisms for proton transport in membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure and dynamics of a proton wire: a theoretical study of H+ translocation along the single-file water chain in the gramicidin A channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Ab initio molecular dynamics study of proton transfer in a polyglycine analog of the ion channel gramicidin A.

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Free energy profiles for H+ conduction along hydrogen-bonded chains of water molecules

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The formation and dynamics of proton wires in channel environments

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

A voltage-gated ion channel model inferred from the crystal structure of alamethicin at 1.5-Å resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Lipid properties and the orientation of aromatic residues in OmpF, influenza M2, and alamethicin systems: molecular dynamics simulations

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

The gating mechanism of the large mechanosensitive channel MscL

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure of the KcsA channel intracellular gate in the open state

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Discrete Ba2+ block as a probe of ion occupancy and pore structure in the high-conductance Ca2+ -activated K+ channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Ion conduction pore is conserved among potassium channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

On the potential functions used in molecular dynamics simulations of ion channels

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Polarizable force fields

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structure of a glycerol-conducting channel and the basis for its selectivity

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structural determinants of water permeation through aquaporin-1

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Structural basis of water-specific transport through the AQP1 water channel

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

1 reference

https://api.crossref.org/works/10.1016%2FS0959-440X%2802%2900307-X

7 January 2021

10.1016/S0959-440X(02)00307-X

Identifiers

DOI

1 reference

3 August 2017

1 reference