Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores (Q30155430)

15 September 2017

Web interface for Brownian dynamics simulation of ion transport and its applications to beta-barrel pores (English)

1 reference

15 September 2017

0 references

7

Wonpil Im

1 reference

15 September 2017

Kyu Il Lee

1

1 reference

15 September 2017

Sunhwan Jo

2

1 reference

15 September 2017

Huan Rui

3

1 reference

15 September 2017

Bernhard Egwolf

4

1 reference

15 September 2017

Benoît Roux

5

1 reference

15 September 2017

Richard W Pastor

6

1 reference

15 September 2017

21 November 2011

1 reference

Journal of Computational Chemistry

15 September 2017

1 reference

15 September 2017

33

1 reference

15 September 2017

331-339

1 reference

15 September 2017

3

1 reference

Brownian dynamics simulations of ion transport through the VDAC.

15 September 2017

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Molecular dynamics studies of ion permeation in VDAC.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Ion channel voltage sensors: structure, function, and pathophysiology

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Ion selectivity of alpha-hemolysin with beta-cyclodextrin adapter. II. Multi-ion effects studied with grand canonical Monte Carlo/Brownian dynamics simulations.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Ion selectivity of alpha-hemolysin with a beta-cyclodextrin adapter. I. Single ion potential of mean force and diffusion coefficient

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

CHARMM: the biomolecular simulation program

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Structure of the human voltage-dependent anion channel

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Solution Structure of the Integral Human Membrane Protein VDAC-1 in Detergent Micelles

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Modeling 2D and 3D diffusion

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Single-molecule mass spectrometry in solution using a solitary nanopore

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Theoretical and computational models of biological ion channels

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Protective antigen as a correlative marker for anthrax in animal models

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

OPM: orientations of proteins in membranes database

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Blocking anthrax lethal toxin at the protective antigen channel by using structure-inspired drug design

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Orientation discrimination of single-stranded DNA inside the alpha-hemolysin membrane channel

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Ion permeation through the alpha-hemolysin channel: theoretical studies based on Brownian dynamics and Poisson-Nernst-Plank electrodiffusion theory

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Trends in ion channel drug discovery: advances in screening technologies

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

3 June 2018

The Protein Data Bank

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Development and current status of the CHARMM force field for nucleic acids.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Prolonged residence time of a noncovalent molecular adapter, beta-cyclodextrin, within the lumen of mutant alpha-hemolysin pores

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

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

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Structure of staphylococcal alpha-hemolysin, a heptameric transmembrane pore

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Voltage gating in the mitochondrial channel, VDAC.

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Anthrax toxin: channel-forming activity of protective antigen in planar phospholipid bilayers

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Large scale rearrangement of protein domains is associated with voltage gating of the VDAC channel

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Drag coefficients for the movement of rigid spheres through liquid-filled cylindrical pores

3 June 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=3240732

Protein nanopores with covalently attached molecular adapters.

3 June 2018

1 reference

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

21 January 2018

1 reference

Stochastic Problems in Physics and Astronomy

21 January 2018

1 reference

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

21 January 2018

1 reference

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

21 January 2018

1 reference

Stretch-activation and stretch-inactivation of Shaker-IR, a voltage-gated K+ channel

21 January 2018

1 reference

Three-dimensional model of the pore form of anthrax protective antigen. Structure and biological implications.

21 January 2018

1 reference

CHARMM-GUI: a web-based graphical user interface for CHARMM

21 January 2018

1 reference

PubMed

https://pubmed.ncbi.nlm.nih.gov/22102176

inferred from PubMed ID database lookup

12 December 2020

based on heuristic

Identifiers

DOI

10.1002/JCC.21952

1 reference

15 September 2017

journals/jcc/LeeJRERPI12

1 reference

DBLP Dataset 2021-01-02

28 January 2021

1 reference

15 September 2017

1 reference