Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations (Q34351284)

1 August 2017

title

Ion transport through membrane-spanning nanopores studied by molecular dynamics simulations and continuum electrostatics calculations (English)

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1 August 2017

Gerhard Hummer

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Christine Peter

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1 August 2017

language of work or name

English

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publication date

8 July 2005

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1 August 2017

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1 August 2017

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1 August 2017

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1 August 2017

page(s)

2222-2234

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describes a project that uses

1 August 2017

molecular dynamics simulation

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Imaging alpha-hemolysin with molecular dynamics: ionic conductance, osmotic permeability, and the electrostatic potential map

inferred from title

cites work

1 reference

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6 July 2018

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Permeation in ion channels: the interplay of structure and theory

6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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6 July 2018

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Crystal structure of Escherichia coli MscS, a voltage-modulated and mechanosensitive channel

6 July 2018

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Recent advances in ion channel research

6 July 2018

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Bridging implicit and explicit solvent approaches for membrane electrostatics

6 July 2018

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Continuum electrostatics fails to describe ion permeation in the gramicidin channel

6 July 2018

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6 July 2018

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6 July 2018

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Modeling diverse range of potassium channels with Brownian dynamics.

6 July 2018

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The open pore conformation of potassium channels

6 July 2018

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

6 July 2018

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X-ray structure of a ClC chloride channel at 3.0 A reveals the molecular basis of anion selectivity

6 July 2018

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

6 July 2018

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6 July 2018

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Water conduction through the hydrophobic channel of a carbon nanotube

6 July 2018

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

6 July 2018

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6 July 2018

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

6 July 2018

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Ion permeation mechanism of the potassium channel

6 July 2018

1 reference

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Tests of continuum theories as models of ion channels. II. Poisson-Nernst-Planck theory versus brownian dynamics

6 July 2018

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6 July 2018

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

6 July 2018

1 reference

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

6 July 2018

1 reference

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Dynamic properties of Na+ ions in models of ion channels: a molecular dynamics study

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

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

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

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

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

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

6 July 2018

1 reference

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Areas, volumes, packing and protein structure

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Water at hydrophobic substrates: curvature, pressure, and temperature effects

6 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Exploring the origin of the ion selectivity of the KcsA potassium channel

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Water-gated mechanism of proton translocation by cytochrome c oxidase

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Ion permeation and selectivity of OmpF porin: a theoretical study based on molecular dynamics, Brownian dynamics, and continuum electrodiffusion theory.

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Energetics of ion conduction through the K+ channel

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

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

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Water in channel-like cavities: structure and dynamics.

27 October 2018

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Energy of an Ion crossing a Low Dielectric Membrane: Solutions to Four Relevant Electrostatic Problems

27 October 2018

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Not Ions Alone: Barriers to Ion Permeation in Nanopores and Channels

27 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1366725

Proton translocation by bacteriorhodopsin and heme-copper oxidases

9 December 2018

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12 December 2020

New Monte Carlo technique for studying phase transitions

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12 December 2020

Temperature effects on the static and dynamic properties of liquid water inside nanotubes

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12 December 2020

Electric field-controlled water permeation coupled to ion transport through a nanopore

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12 December 2020

The influence of geometry, surface character, and flexibility on the permeation of ions and water through biological pores

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12 December 2020

Intermittent Permeation of Cylindrical Nanopores by Water

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12 December 2020

10.1529/BIOPHYSJ.105.065946

Identifiers

DOI

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1 August 2017

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1 August 2017

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