(Q35590744)

9 August 2017

title

Membrane protein simulations: ion channels and bacterial outer membrane proteins (English)

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9 August 2017

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Carmen Domene

1

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9 August 2017

Peter J Bond

series ordinal

2

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9 August 2017

Mark S Sansom

series ordinal

3

1 reference

9 August 2017

publication date

1 January 2003

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Advances in Protein Chemistry

9 August 2017

published in

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9 August 2017

volume

66

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9 August 2017

page(s)

159-193

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Multiple facets of bacterial porins

9 August 2017

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

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7 January 2021

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OmpA: a pore or not a pore? Simulation and modeling studies

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7 January 2021

Beta-barrel proteins from bacterial outer membranes: structure, function and refolding

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7 January 2021

Extending the structure of an ABC transporter to atomic resolution: modeling and simulation studies of MsbA.

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7 January 2021

Ion channels: structural bioinformatics and modelling

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7 January 2021

Filter flexibility in a mammalian K channel: models and simulations of Kir6.2 mutants

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

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7 January 2021

RETRACTED: Structure of MsbA from E. coli: a homolog of the multidrug resistance ATP binding cassette (ABC) transporters

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7 January 2021

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

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7 January 2021

Combined Monte Carlo and molecular dynamics simulation of hydrated dipalmitoyl–phosphatidylcholine–cholesterol lipid bilayers

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Combined Monte Carlo and molecular dynamics simulation of hydrated lipid-cholesterol lipid bilayers at low cholesterol concentration

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Ab initio folding simulation of the Trp-cage mini-protein approaches NMR resolution

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7 January 2021

Permeation of ions across the potassium channel: Brownian dynamics studies

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7 January 2021

Conducting-state properties of the KcsA potassium channel from molecular and Brownian dynamics simulations.

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7 January 2021

Recent advances in ion channel research

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7 January 2021

Climatic impact of tropical lowland deforestation on nearby montane cloud forests

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7 January 2021

The fold of human aquaporin 1.

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7 January 2021

Potassium channel, ions, and water: simulation studies based on the high resolution X-ray structure of KcsA.

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7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Crystal structure and functional characterization of OmpK36, the osmoporin of Klebsiella pneumoniae

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Translocation mechanism of long sugar chains across the maltoporin membrane channel

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

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

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Setting up and optimization of membrane protein simulations.

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulations of the bacterial outer membrane protein FhuA: a comparative study of the ferrichrome-free and bound states

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7 January 2021

Membrane simulations: bigger and better?

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7 January 2021

Structure of the sucrose-specific porin ScrY from Salmonella typhimurium and its complex with sucrose

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7 January 2021

Potassium permeation through the KcsA channel: a density functional study

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7 January 2021

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

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7 January 2021

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

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7 January 2021

Structural determinants of MscL gating studied by molecular dynamics simulations

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7 January 2021

Molecular dynamics simulations

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7 January 2021

Ions and counterions in a biological channel: a molecular dynamics simulation of OmpF porin from Escherichia coli in an explicit membrane with 1 M KCl aqueous salt solution

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7 January 2021

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

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7 January 2021

Steered molecular dynamics and mechanical functions of proteins

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7 January 2021

The mechanism of glycerol conduction in aquaglyceroporins.

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7 January 2021

Crystal structure and mechanism of a calcium-gated potassium channel

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

The open pore conformation of potassium channels

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7 January 2021

Molecular dynamics simulations of biomolecules

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Electrostatic properties of two porin channels from Escherichia coli

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure and function of bacterial outer membrane proteins: barrels in a nutshell

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Crystal structure of the bacterial membrane protein TolC central to multidrug efflux and protein export

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Membrane structural perturbations caused by anesthetics and nonimmobilizers: a molecular dynamics investigation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Crystal structure of the potassium channel KirBac1.1 in the closed state

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7 January 2021

KcsA: it's a potassium channel

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7 January 2021

Outer membrane proteins: key players for bacterial adaptation in host niches

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7 January 2021

Computer simulation of the rough lipopolysaccharide membrane of Pseudomonas aeruginosa

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure of the KcsA channel intracellular gate in the open state

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

The E. coli BtuCD structure: a framework for ABC transporter architecture and mechanism

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Flexibility of the Kir6.2 inward rectifier K(+) channel pore

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

7 January 2021

Mechanisms of tetraethylammonium ion block in the KcsA potassium channel

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulations of mixed micelles modeling human bile.

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7 January 2021

Transmembrane structure of an inwardly rectifying potassium channel

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7 January 2021

Dynamical properties of a hydrated lipid bilayer from a multinanosecond molecular dynamics simulation

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7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Crystal structure of bacterial multidrug efflux transporter AcrB

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure of the outer membrane protein A transmembrane domain

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Modulation of glycophorin A transmembrane helix interactions by lipid bilayers: molecular dynamics calculations.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

7 January 2021

Voltage gating of Escherichia coli porin channels: role of the constriction loop

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Helical membrane protein folding, stability, and evolution

1 reference

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7 January 2021

Crystal structure of the OpcA integral membrane adhesin from Neisseria meningitidis

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7 January 2021

Side-chain ionization states in a potassium channel

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7 January 2021

Orientation and interactions of dipolar molecules during transport through OmpF porin

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7 January 2021

Theoretical and computational models of ion channels

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7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

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

1 reference

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7 January 2021

Computer simulation studies of model biological membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Potassium channels: structures, models, simulations.

1 reference

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7 January 2021

Simulations of ion channels--watching ions and water move

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7 January 2021

General and specific porins from bacterial outer membranes

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7 January 2021

Structural basis for sugar translocation through maltoporin channels at 3.1 A resolution

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Brownian dynamics simulation of ion flow through porin channels.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Porins: general to specific, native to engineered passive pores

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

beta-Barrel membrane proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Modeling the lipid component of membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

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

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulations and KcsA channel gating.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

K(+) versus Na(+) ions in a K channel selectivity filter: a simulation study

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

All-Atom Structure Prediction and Folding Simulations of a Stable Protein

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https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure of dipalmitoylphosphatidylcholine/cholesterol bilayer at low and high cholesterol concentrations: molecular dynamics simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

L3 loop-mediated mechanisms of pore closing in porin: a molecular dynamics perturbation approach.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

The SIESTA method for ab initio order-N materials simulation

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Computational observation of an ion permeation through a channel protein

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Control of the selectivity of the aquaporin water channel family by global orientational tuning

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure and assembly of beta-barrel membrane proteins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

In silico research in drug discovery

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

7 January 2021

A computer perspective of membranes: molecular dynamics studies of lipid bilayer systems

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Electrostatics calculations: recent methodological advances and applications to membranes

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Constant-pressure molecular dynamics investigation of cholesterol effects in a dipalmitoylphosphatidylcholine bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Effects of anesthetics on the structure of a phospholipid bilayer: molecular dynamics investigation of halothane in the hydrated liquid crystal phase of dipalmitoylphosphatidylcholine

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Lipids in the structure, folding, and function of the KcsA K+ channel

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Crystal structure of the outer membrane protease OmpT from Escherichia coli suggests a novel catalytic site

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Genome-wide analysis of integral membrane proteins from eubacterial, archaean, and eukaryotic organisms

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Computer simulations of the OmpF porin from the outer membrane of Escherichia coli

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular Architecture and Electrostatic Properties of a Bacterial Porin

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulation of a phospholipid micelle

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Progress in the analysis of membrane protein structure and function.

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Structure of a fluid dioleoylphosphatidylcholine bilayer determined by joint refinement of x-ray and neutron diffraction data. III. Complete structure

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

The bacterial K+ channel structure and its implications for neuronal channels

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

The voltage-gated potassium channels and their relatives

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

Electrostatic properties of the anion selective porin Omp32 from Delftia acidovorans and of the arginine cluster of bacterial porins

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

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%2FS0065-3233%2803%2966005-5

7 January 2021

Molecular dynamics study of aquaporin-1 water channel in a lipid bilayer

1 reference

https://api.crossref.org/works/10.1016%2FS0065-3233%2803%2966005-5

7 January 2021

10.1016/S0065-3233(03)66005-5

Identifiers

DOI

1 reference

9 August 2017

1 reference