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PMID: 19362465 Published · ppublish English Journal Article Research Support, N.I.H., Extramural Review

Systematic multiscale simulation of membrane protein systems.

Current opinion in structural biology ·Vol. 19 ·No. 2 ·2009-04-00 ·Pages 138-44

Ayton GS, Voth GA

Abstract

Current multiscale simulation approaches for membrane protein systems vary depending on their degree of connection to the underlying molecular scale interactions. Various approaches have been developed that include such information into coarse-grained models of both the membrane and the proteins. By contrast, other approaches employ parameterizations obtained from experimental data. Mesoscopic models operate at larger scales and have also been employed to examine membrane remodeling, protein inclusions, and ion channel gating. When bridged together such that molecular-level information is propagated between the different scales, a systematic multiscale methodology for membrane protein systems can be achieved.

MeSH Terms
Computer Simulation Membrane Proteins/chemistry,metabolism Models, Molecular Protein Conformation Software
Chemicals
Membrane Proteins
Authors & Affiliations
2 authors, click to expand affiliations / ORCID
Ayton Gary S
Center for Biological Modeling and Simulation, University of Utah, 315 S. 1400 E., Salt Lake City, UT 84112-0850, USA. [email protected]
Voth Gregory A
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Article Info
Journal
Current opinion in structural biology
Abbr.
Curr Opin Struct Biol
ISSN
1879-033X
DOI
10.1016/j.sbi.2009.03.001
Email
[email protected]
Published
2009-04-00
Epub
2009-00-09
Pages
138-44
Language
English
Region
England
NLM ID
9107784
PMCID
PMC4693605
Subset
IM
Grants
NIGMS NIH HHS · R01 GM063796 · United States
NIGMS NIH HHS · R01 GM 063796 · United States
External Links
PubMed source DOI: 10.1016/j.sbi.2009.03.001 PMC Full Text View journal details
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