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Molecular dynamics simulations of biological membranes have come of age. Simulations of pure lipid bilayers are extending our understanding of both optimal simulation procedures and the detailed structural dynamics of lipids in these systems. Simulation methods established using simple bilayer-embedded peptides are being extended to a wide range of membrane proteins and membrane protein models, and are beginning to reveal some of the complexities of membrane protein structural dynamics and their relationship to biological function.


Journal article


Curr Opin Struct Biol

Publication Date





174 - 181


1,2-Dipalmitoylphosphatidylcholine, Bacterial Proteins, Cholesterol, Computer Simulation, Dimyristoylphosphatidylcholine, Lipid Bilayers, Membrane Lipids, Membrane Proteins, Models, Chemical, Models, Molecular, Peptides, Phospholipids, Porins, Potassium Channels, Protein Conformation, Protein Structure, Secondary, Protein Structure, Tertiary