(Q34180752)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

title

Gramicidin A channel as a test ground for molecular dynamics force fields (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

1

1 reference

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2 November 2019

Turgut Baştuğ

series ordinal

2

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

Serdar Kuyucak

3

1 reference

ORCID Public Data File 2021

author name string

Shin-Ho Chung

series ordinal

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

language of work or name

English

0 references

publication date

1 April 2003

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

volume

84

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

issue

4

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

page(s)

2159-2168

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

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

2 November 2019

cites work

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Continuum electrostatics fails to describe ion permeation in the gramicidin channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Computational studies of the gramicidin channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Molecular dynamics simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Simulation approaches to ion channel structure-function relationships

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Structures of gramicidins A, B, and C incorporated into sodium dodecyl sulfate micelles

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Biomolecular simulations: recent developments in force fields, simulations of enzyme catalysis, protein-ligand, protein-protein, and protein-nucleic acid noncovalent interactions

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

5 July 2018

Polarizable force fields

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Structure of lipid bilayers

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Mesoscopic undulations and thickness fluctuations in lipid bilayers from molecular dynamics simulations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Noncontact dipole effects on channel permeation. II. Trp conformations and dipole potentials in gramicidin A.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Cation transport: an example of structural based selectivity

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

High-resolution polypeptide structure in a lamellar phase lipid environment from solid state NMR derived orientational constraints

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Incorporation of surface tension into molecular dynamics simulation of an interface: a fluid phase lipid bilayer membrane

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

High-resolution conformation of gramicidin A in a lipid bilayer by solid-state NMR.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

The use of physical methods in determining gramicidin channel structure and function

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Molecular dynamics simulation of the gramicidin channel in a phospholipid bilayer

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Molecular Dynamics Simulations of the Gramicidin Channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Orientations of the tryptophan 9 and 11 side chains of the gramicidin channel based on deuterium nuclear magnetic resonance spectroscopy

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

The gramicidin A transmembrane channel: a proposed pi(L,D) helix

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Energy profiles in the gramicidin A channel

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Ion transport in a model gramicidin channel. Structure and thermodynamics

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Ion-water and ion-polypeptide correlations in a gramicidin-like channel. A molecular dynamics study

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

Molecular determinants of channel function

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=1302783

GROMACS: A message-passing parallel molecular dynamics implementation

28 October 2018

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

The missing term in effective pair potentials

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Molecular dynamics with coupling to an external bath

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Structural changes in lipid bilayers and biological membranes caused hydrostatic pressure

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

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

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Potassium permeation through the KcsA channel: a density functional study

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Comparison of simple potential functions for simulating liquid water

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

THE weighted histogram analysis method for free-energy calculations on biomolecules. I. The method

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

GROMACS 3.0: a package for molecular simulation and trajectory analysis

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Molecular dynamics simulations of the gramicidin A-dimyristoylphosphatidylcholine system with an ion in the channel pore region

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

Monovalent cation transport: lack of structural deformation upon cation binding

7 January 2021

1 reference

https://api.crossref.org/works/10.1016%2FS0006-3495%2803%2975022-X

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%2803%2975022-X

10.1016/S0006-3495(03)75022-X

7 January 2021

Identifiers

DOI

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:12668425%20AND%20SRC:MED&resulttype=core&format=json

2 November 2019

1 reference