| Computer simulations of transport through membranes: passive diffusion, pores, channels and transporters. | |
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MedLine Citation:
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PMID: 17002665 Owner: NLM Status: MEDLINE |
Abstract/OtherAbstract:
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A key function of biological membranes is to provide mechanisms for the controlled transport of ions, nutrients, metabolites, peptides and proteins between a cell and its environment. We are using computer simulations to study several processes involved in transport. In model membranes, the distribution of small molecules can be accurately calculated; we are making progress towards understanding the factors that determine the partitioning behaviour in the inhomogeneous lipid environment, with implications for drug distribution, membrane protein folding and the energetics of voltage gating. Lipid bilayers can be simulated at a scale that is sufficiently large to study significant defects, such as those caused by electroporation. Computer simulations of complex membrane proteins, such as potassium channels and ATP-binding cassette (ABC) transporters, can give detailed information about the atomistic dynamics that form the basis of ion transport, selectivity, conformational change and the molecular mechanism of ATP-driven transport. This is illustrated in the present review with recent simulation studies of the voltage-gated potassium channel KvAP and the ABC transporter BtuCD. |
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Authors:
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D Peter Tieleman |
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Publication Detail:
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Type: Journal Article; Research Support, Non-U.S. Gov't; Review |
Journal Detail:
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Title: Clinical and experimental pharmacology & physiology Volume: 33 ISSN: 0305-1870 ISO Abbreviation: Clin. Exp. Pharmacol. Physiol. Publication Date: 2006 Oct |
Date Detail:
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Created Date: 2006-09-27 Completed Date: 2006-12-05 Revised Date: - |
Medline Journal Info:
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Nlm Unique ID: 0425076 Medline TA: Clin Exp Pharmacol Physiol Country: Australia |
Other Details:
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Languages: eng Pagination: 893-903 Citation Subset: IM |
Affiliation:
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Department of Biological Sciences, University of Calgary, Calgary, Alberta, Canada. tieleman@ucalgary.ca |
Export Citation:
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| MeSH Terms | |
Descriptor/Qualifier:
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ATP-Binding Cassette Transporters
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chemistry Animals Biological Transport / physiology* Carrier Proteins / physiology Computer Simulation* Crystallization / methods Diffusion* Electroporation / methods Escherichia coli Proteins / physiology Ion Channel Gating / physiology Ion Channels / physiology* Lipid Bilayers / chemistry Membrane Transport Proteins / physiology* Membranes / chemistry Models, Chemical Models, Molecular Porins / physiology Potassium Channels, Voltage-Gated / chemistry Protein Conformation |
| Chemical | |
Reg. No./Substance:
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0/ATP-Binding Cassette Transporters; 0/Carrier Proteins; 0/Escherichia coli Proteins; 0/Ion Channels; 0/Lipid Bilayers; 0/Membrane Transport Proteins; 0/Porins; 0/Potassium Channels, Voltage-Gated; 0/maltodextrin-binding protein, E coli; 0/maltose-binding protein |
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine
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