Multiscale simulation of transmembrane proteins.

Multiscale simulation of transmembrane proteins. Research Abstract Details 

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Multiscale simulation of transmembrane proteins. Abstract Text:

Gary S Ayton,Gregory A Voth,

Multiscale simulation is employed to examine changes in atomistic-level protein structure due to long wavelength membrane undulations and plane stress fields. An ensemble of atomistic-level simulations of a model of a transmembrane influenza A virus M2 proton channel in a dimyristoylphosphatidylcholine (DMPC) bilayer is coupled to a corresponding mesoscopic model of a DMPC bilayer in an explicit mesoscopic solvent. Structural variations in the key proton gating His37 residues of the M2 channel are examined. Small, but distinct variations in the structure of the His37 residues are observed in both the open and closed states of the channel as a result of the coupling to mesoscopic-level membrane motions.

Multiscale simulation of transmembrane proteins. Publishing Authors By Initials

GS Ayton,GA Voth,

For similar proteins: viral proteins: viral structural proteins: viral envelope proteins: viral matrix proteins research abstracts see: proteins: viral proteins: viral structural proteins: viral envelope proteins: viral matrix proteins research

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MEDLINE DATE:

Multiscale simulation of transmembrane proteins. Journal Published:

PUBLICATION TYPE: Research Support, Non-U.S. Gov

Journal: Journal of structural biology

VOLUME: 157

Page Numbers: 570-8

Journal Abbreviation: J. Struct. Biol.

ISSN: 1047-8477

DAY: 27

MONTH: 10

YEAR: 2006

Multiscale simulation of transmembrane proteins. Information

Number of References:

LANGUAGE: eng

NlmUniqueID: 9011206

Multiscale simulation of transmembrane proteins. Keywords Mesh Terms:

KEYWORDS: Viral Matrix Proteins

MESH TERMS: chemistry

Chemical & Substance for Abstract: Multiscale simulation of transmembrane proteins. Information

Substance Name: Histidine

Registry Number: 71-00-1

Grant and Affiliation Information for Multiscale simulation of transmembrane proteins.

AFFILIATION: Center for Biophysical Modeling and Simulation and Department of Chemistry, University of Utah, 315 S. 1400 E. Rm 2020, Salt Lake City, UT 84112-0850, USA.

Country: United States

AGENCY: United States NIGMS

GRANT: R01 GM63796

ACRONYM: GM

MEDLINETA: J Struct Biol

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