Modelling of proteins in membranes

Maria Maddalena Sperotto, S. May, A. Baumgaertner

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    This review describes some recent theories and simulations of mesoscopic and microscopic models of lipid membranes with embedded or attached proteins. We summarize results supporting our understanding of phenomena for which the activities of proteins in membranes are expected to be significantly affected by the lipid environment. Theoretical predictions are pointed out, and compared to experimental findings, if available. Among others, the following phenomena are discussed: interactions of interfacially adsorbed peptides, pore-forming amphipathic peptides, adsorption of charged proteins onto oppositely charged lipid membranes, lipid-induced tilting of proteins embedded in lipid bilayers, protein-induced bilayer deformations, protein insertion and assembly, and lipid-controlled functioning of membrane proteins.
    Original languageEnglish
    JournalChemistry and Physics of Lipids
    Issue number1-2
    Pages (from-to)2-29
    Publication statusPublished - 2006


    • cooperative behavior
    • dissipative particle dynamics
    • Poisson-Boltzmann
    • mesoscopic model
    • Monte Carlo
    • tilting
    • protein insertion
    • hydrophobic mismatch
    • phase transition
    • molecular dynamics
    • ion channel
    • lipid-protein interaction
    • coarse-grain model

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