Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations (Q33922841)

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20513757%20AND%20SRC:MED&resulttype=core&format=json

4 February 2020

title

Exploring atomic resolution physiology on a femtosecond to millisecond timescale using molecular dynamics simulations (English)

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20513757%20AND%20SRC:MED&resulttype=core&format=json

4 February 2020

0 references

Morten Ø Jensen

2

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https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20513757%20AND%20SRC:MED&resulttype=core&format=json

4 February 2020

David E Shaw

series ordinal

4

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4 February 2020

publication date

1 June 2010

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The Journal of General Physiology

4 February 2020

published in

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4 February 2020

volume

135

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issue

6

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4 February 2020

page(s)

555-562

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describes a project that uses

4 February 2020

molecular dynamics simulation

1 reference

GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation

inferred from title

cites work

1 reference

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Improved side-chain torsion potentials for the Amber ff99SB protein force field

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Principles of conduction and hydrophobic gating in K+ 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=2888062

Long-timescale molecular dynamics simulations of protein 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=2888062

Molecular dynamics simulations of membrane channels and transporters

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Identification of two distinct inactive conformations of the beta2-adrenergic receptor reconciles structural and biochemical observations

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

QM/MM methods for biomolecular 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=2888062

Dynamic control of slow water transport by aquaporin 0: implications for hydration and junction stability in the eye lens

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Atomic structure of a voltage-dependent K+ channel in a lipid membrane-like environment

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

High-resolution crystal structure of an engineered human beta2-adrenergic G protein-coupled receptor

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Crystal structure of the human beta2 adrenergic G-protein-coupled receptor

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Mechanism of Na+/H+ antiporting.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Improved sampling methods for molecular simulation

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Inhibition of MAPK stimulates the Ca2+ -dependent big-conductance K channels in cortical collecting duct

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Comparison of multiple Amber force fields and development of improved protein backbone parameters

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Dynamic behavior of fully solvated beta2-adrenergic receptor, embedded in the membrane with bound agonist or antagonist.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Lipid-protein interactions in double-layered two-dimensional AQP0 crystals

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Structure of a Na+/H+ antiporter and insights into mechanism of action and regulation by pH.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Molecular dynamics and protein 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=2888062

The dynamics and energetics of water permeation and proton exclusion in aquaporins

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Biomolecular simulations at constant pH.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

The channel architecture of aquaporin 0 at a 2.2-A resolution

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Computational studies of membrane 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=2888062

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

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Activation of the beta 2-adrenergic receptor involves disruption of an ionic lock between the cytoplasmic ends of transmembrane segments 3 and 6.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Water and glycerol permeabilities of aquaporins 1-5 and MIP determined quantitatively by expression of epitope-tagged constructs in Xenopus oocytes.

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Simple Allosteric Model for Membrane Pumps

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Streaming potential measurements in Ca2+-activated K+ channels from skeletal and smooth muscle. Coupling of ion and water fluxes

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Models and mechanistic insight

5 July 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Importance of the CMAP correction to the CHARMM22 protein force field: dynamics of hen lysozyme

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

Energetics of ion conduction through the K+ channel.

29 October 2018

1 reference

https://eutils.ncbi.nlm.nih.gov/entrez/eutils/elink.fcgi?dbfrom=pmc&linkname=pmc_refs_pubmed&retmode=json&id=2888062

A crystal clear view of the beta2-adrenergic receptor

29 October 2018

1 reference

12 December 2020

Coarse-grained molecular dynamics simulations of membrane proteins and peptides

1 reference

12 December 2020

Energetics of pore opening in a voltage-gated K(+) channel

1 reference

12 December 2020

Retinal counterion switch mechanism in vision evaluated by molecular simulations

1 reference

12 December 2020

Identifiers

DOI

10.1085/JGP.200910373

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20513757%20AND%20SRC:MED&resulttype=core&format=json

4 February 2020

1 reference

https://www.ebi.ac.uk/europepmc/webservices/rest/search?query=EXT_ID:20513757%20AND%20SRC:MED&resulttype=core&format=json

4 February 2020

PubMed publication ID

20513757

1 reference