(Q40168254)

18 September 2017

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

1 reference

18 September 2017

Im W

1

1 reference

18 September 2017

Seefeld S

series ordinal

2

1 reference

18 September 2017

Roux B

series ordinal

3

1 reference

18 September 2017

language of work or name

English

0 references

publication date

1 August 2000

1 reference

18 September 2017

1 reference

18 September 2017

79

1 reference

18 September 2017

2

1 reference

18 September 2017

788-801

1 reference

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

18 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Permeation of ions across the potassium channel: Brownian dynamics studies

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular dynamics study of the KcsA potassium channel

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Statistical mechanical equilibrium theory of selective ion channels

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

An alamethicin channel in a lipid bilayer: molecular dynamics simulations

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

The M2 channel of influenza A virus: a molecular dynamics study

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Identification and characterization of two quiescent porin genes, nmpC and ompN, in Escherichia coli BE.

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular dynamics simulations of ion channels: how far have we gone and where are we heading?

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

General and specific porins from bacterial outer membranes

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Brownian dynamics study of ion transport in the vestibule of membrane channels

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular dynamics simulation of a synthetic ion channel

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Boundary conditions for- single-ion diffusion

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

A semi-microscopic Monte Carlo study of permeation energetics in a gramicidin-like channel: the origin of cation selectivity

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

The nature of ion and water barrier crossings in a simulated ion channel

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular Dynamics Simulations of the Gramicidin Channel

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Brownian dynamics study of a multiply-occupied cation channel: application to understanding permeation in potassium channels

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Stochastic theory of singly occupied ion channels. II. Effects of access resistance and potential gradients extending into the bath

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Stochastic theory of ion movement in channels with single-ion occupancy. Application to sodium permeation of gramicidin channels

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Ion transport in a model gramicidin channel. Structure and thermodynamics

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Crystal structures explain functional properties of two E. coli porins

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Computational observation of an ion permeation through a channel protein

22 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Influence of the membrane potential on the free energy of an intrinsic protein

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

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

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Valence selectivity of the gramicidin channel: a molecular dynamics free energy perturbation study

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Jumping frequencies in membrane channels. Comparison between stochastic molecular dynamics simulation and rate theory.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Brownian dynamics simulation of ion flow through porin channels.

17 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Molecular dynamics study of the LS3 voltage-gated ion channel

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Water in channel-like cavities: structure and dynamics.

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Electrostatic properties of two porin channels from Escherichia coli

20 August 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

Focusing of electric fields in the active site of Cu-Zn superoxide dismutase: effects of ionic strength and amino-acid modification

4 November 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1300978

CHARMM: A program for macromolecular energy, minimization, and dynamics calculations

4 November 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Statistical mechanics of isomerization dynamics in liquids and the transition state approximation

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Stochastic Problems in Physics and Astronomy

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

The theory of ion transport through membrane channels

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Family of G protein alpha chains: amphipathic analysis and predicted structure of functional domains

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Electrical properties of bimolecular phospholipid membranes

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

All-atom empirical potential for molecular modeling and dynamics studies of proteins

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

The Statistical Thermodynamics of Multicomponent Systems

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Simulation of enzyme–substrate encounter with gated active sites

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

Calculation of the electric potential in the active site cleft due to alpha-helix dipoles

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2800%2976336-3

10.1016/S0006-3495(00)76336-3

7 January 2021

Identifiers

DOI

1 reference

release_74vkdhg24zciheqotfd4v4umke

18 September 2017

1 reference

Fatcat

https://api.fatcat.wiki/v0/release/74vkdhg24zciheqotfd4v4umke

mapped directly with Wikidata item

24 November 2022

based on heuristic

1 reference

18 September 2017

PubMed publication ID

10920012

1 reference