Molecular simulations and lipid-protein interactions: potassium channels and other membrane proteins.

Conference item

Molecular dynamics simulations may be used to probe the interactions of membrane proteins with lipids and with detergents at atomic resolution. Examples of such simulations for ion channels and for bacterial outer membrane proteins are described. Comparison of simulations of KcsA (an alpha-helical bundle) and OmpA (a beta-barrel) reveals the importance of two classes of side chains in stabilizing interactions with the head groups of lipid molecules: (i) tryptophan and tyrosine; and (ii) argin...

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Authors: Sansom, MS; Bond, P; Deol, S; Grottesi, A; Haider, S

• Publication status: Published
• Host title: Biochemical Society transactions
• Volume: 33
• Issue: Pt 5
• Pages: 916-920
• Publication date: 2005-11-01
• Event location: England
• DOI: 10.1042/bst20050916
• EISSN: 1470-8752
• ISSN: 0300-5127
• Keywords: Computer Simulation; Membrane Lipids; Potassium Channels; Models, Molecular; Detergents; Membrane Proteins; Micelles; Protein Structure, Secondary; Potassium Channels, Inwardly Rectifying