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Curr Opin Struct Biol. 2000 Apr;10(2):174-81.

Membrane simulations: bigger and better?

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Laboratory of Molecular Biophysics, Department of Biochemistry, The Rex Richards Building, University of Oxford, Oxford, OX1 3QU, UK.


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.

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