Ion channels: molecular modeling and simulation studies. (Q52237512)

27 April 2018

title

Ion channels: molecular modeling and simulation studies. (English)

1 reference

27 April 2018

author name string

Sansom MS

series ordinal

1

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27 April 2018

language of work or name

English

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publication date

1 January 1998

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27 April 2018

published in

Methods in Enzymology

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27 April 2018

volume

293

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27 April 2018

page(s)

647-693

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27 April 2018

Theoretical perspectives on ion-channel electrostatics: continuum and microscopic approaches

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Using experimental information to produce a model of the transmembrane domain of the ion channel phospholamban

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7 January 2021

Acetylcholine receptor channel imaged in the open state

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7 January 2021

The three-dimensional structure of aquaporin-1.

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7 January 2021

Three-dimensional organization of a human water channel

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7 January 2021

Nicotinic acetylcholine receptor superfamily of ligand-gated ion channels

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7 January 2021

The functional architecture of the acetylcholine nicotinic receptor explored by affinity labelling and site-directed mutagenesis

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7 January 2021

The permeation pathway of neurotransmitter-gated ion channels

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The emerging three-dimensional structure of a receptor. The nicotinic acetylcholine receptor

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7 January 2021

Modelling membrane proteins using structural restraints

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7 January 2021

The pore domain of the nicotinic acetylcholine receptor: molecular modeling, pore dimensions, and electrostatics.

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7 January 2021

Ion channels formed by amphipathic helical peptides

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7 January 2021

Structure and function of channel-forming peptaibols

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7 January 2021

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

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7 January 2021

High-resolution 1H NMR study of the solution structure of alamethicin

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7 January 2021

Hydrogen bond stabilities in membrane-reconstituted alamethicin from amide-resolved hydrogen-exchange measurements

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7 January 2021

Simulation studies of alamethicin-bilayer interactions

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Antimicrobial peptide pores in membranes detected by neutron in-plane scattering

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7 January 2021

Engineering stabilized ion channels: covalent dimers of alamethicin

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Alamethicin. A rich model for channel behavior

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7 January 2021

Ion channel stabilization of synthetic alamethicin analogs by rings of inter-helix H-bonds

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7 January 2021

Ion channel stability and hydrogen bonding. Molecular modelling of channels formed by synthetic alamethicin analogues.

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7 January 2021

A novel method for structure-based prediction of ion channel conductance properties.

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7 January 2021

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7 January 2021

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7 January 2021

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7 January 2021

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7 January 2021

Helix bending in alamethicin: molecular dynamics simulations and amide hydrogen exchange in methanol

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7 January 2021

Circular-dichroism analyses of membrane proteins: examination of environmental effects on bacteriorhodopsin spectra

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7 January 2021

Identification of an ion channel activity of the Vpu transmembrane domain and its involvement in the regulation of virus release from HIV-1-infected cells

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7 January 2021

Ion channels formed by HIV-1 Vpu: a modelling and simulation study

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7 January 2021

Structural perspectives of phospholamban, a helical transmembrane pentamer

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7 January 2021

The molecular basis of the specific anti-influenza action of amantadine

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7 January 2021

Understanding the mechanism of action of the anti-influenza virus drug amantadine

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7 January 2021

Ion selectivity and activation of the M2 ion channel of influenza virus

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7 January 2021

Selective proton permeability and pH regulation of the influenza virus M2 channel expressed in mouse erythroleukaemia cells.

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7 January 2021

The secondary structure of influenza A M2 transmembrane domain. A circular dichroism study

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7 January 2021

Transmembrane four-helix bundle of influenza A M2 protein channel: structural implications from helix tilt and orientation

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7 January 2021

The influenza A virus M2 channel: a molecular modeling and simulation study.

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7 January 2021

Structural characteristics of the M2 protein of influenza A viruses: evidence that it forms a tetrameric channel

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7 January 2021

Influenza virus M2 integral membrane protein is a homotetramer stabilized by formation of disulfide bonds

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7 January 2021

Synthetic amphiphilic peptide models for protein ion channels

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7 January 2021

Structural model of the phospholamban ion channel complex in phospholipid membranes

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7 January 2021

Channels formed by the transmembrane helix of phospholamban: a simulation study

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7 January 2021

An SS1-SS2 beta-barrel structure for the voltage-activated potassium channel

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7 January 2021

Potassium channels: a computer prediction of structure and selectivity.

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7 January 2021

The pore-lining region of shaker voltage-gated potassium channels: comparison of beta-barrel and alpha-helix bundle models

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7 January 2021

Structure-function studies on the pore of potassium channels

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7 January 2021

Functional bases for interpreting amino acid sequences of voltage-dependent K+ channels

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7 January 2021

Silver as a probe of pore-forming residues in a potassium channel

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7 January 2021

Sequence of a probable potassium channel component encoded at Shaker locus of Drosophila

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7 January 2021

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7 January 2021

Conduction properties of the cloned Shaker K+ channel

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7 January 2021

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

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7 January 2021

Molecular dynamics simulations of water within models of ion channels

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7 January 2021

Realistic simulations of native-protein dynamics in solution and beyond

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7 January 2021

Comparison of simple potential functions for simulating liquid water

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7 January 2021

Solvation, water permeation, and ionic selectivity of a putative model for the pore region of the voltage-gated sodium channel.

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7 January 2021

Alamethicin channels - modelling via restrained molecular dynamics simulations

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7 January 2021

Protein-water-ion interactions in a model of the pore domain of a potassium channel: a simulation study.

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7 January 2021

Ion channels formed by NB, an influenza B virus protein

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7 January 2021

Do Vpu and Vpr of human immunodeficiency virus type 1 and NB of influenza B virus have ion channel activities in the viral life cycles?

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7 January 2021

The NB protein is an integral component of the membrane of influenza B virus

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7 January 2021

Time-correlation analysis of simulated water motion in flexible and rigid gramicidin channels

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7 January 2021

Monte Carlo simulation of the water in a channel with charges

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7 January 2021

Extended dipolar chain model for ion channels: electrostriction effects and the translocational energy barrier

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7 January 2021

The dielectric properties of water within model transbilayer pores.

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7 January 2021

Electrostatic properties of two porin channels from Escherichia coli

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7 January 2021

Mutations in the K+ channel signature sequence

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7 January 2021

Simulation of voltage-dependent interactions of alpha-helical peptides with lipid bilayers

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7 January 2021

The structure of a membrane-spanning polypeptide studied by molecular dynamics

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7 January 2021

Modeling of the structure of bacteriorhodopsin. A molecular dynamics study

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7 January 2021

Hydrophobicity scales and computational techniques for detecting amphipathic structures in proteins

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7 January 2021

Insertion of peptide chains into lipid membranes: an off-lattice Monte Carlo dynamics model

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7 January 2021

A Monte Carlo model of fd and Pf1 coat proteins in lipid membranes

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7 January 2021

Transmembrane helix structure, dynamics, and interactions: multi-nanosecond molecular dynamics simulations

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7 January 2021

Structure, energetics, and dynamics of lipid-protein interactions: A molecular dynamics study of the gramicidin A channel in a DMPC bilayer

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7 January 2021

Permeation through an open channel: Poisson-Nernst-Planck theory of a synthetic ionic channel

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7 January 2021

Electrostatic interactions in macromolecules: theory and applications

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7 January 2021

Electrostatics and diffusion of molecules in solution: simulations with the University of Houston Brownian dynamics program

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7 January 2021

Poisson-Boltzmann analysis of the lambda repressor-operator interaction

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7 January 2021

Calculations of the electrostatic potential adjacent to model phospholipid bilayers

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7 January 2021

Improved continuum electrostatic modelling in proteins, with comparison to experiment.

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7 January 2021

SIMS: computation of a smooth invariant molecular surface

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7 January 2021

The pore dimensions of gramicidin A.

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7 January 2021

Intrinsic rectification of ion flux in alamethicin channels: studies with an alamethicin dimer

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7 January 2021

Structure-function relationships in helix-bundle channels probed via total chemical synthesis of alamethicin dimers: effects of a Gln7 to Asn7 mutation

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7 January 2021

Electrostatic calculations of the pKa values of ionizable groups in bacteriorhodopsin

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7 January 2021

Influenza A virus M2 ion channel protein: a structure-function analysis

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7 January 2021

10.1016/S0076-6879(98)93037-3

Identifiers

DOI

1 reference

27 April 2018

1 reference

27 April 2018