The computer as a laboratory for the physical chemistry of membranes

A mini-review is given of some recent advances in the use of computer-simulation approaches to the study of physico-chemical properties of lipid bilayers and biological membranes. The simulations are based on microscopic molecular interaction models as well as random-surface models of fluid membrane...

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Bibliographic Details
Published in:Biophysical chemistry 1995-06, Vol.55 (1), p.55-68
Main Authors: Mouritsen, O.G., Dammann, B., Fogedby, H.C., Ipsen, J.H., Jeppesen, C., Jørgensen, K., Risbo, J., Sabra, M.C., Sperotto, M.M., Zuckermann, M.J.
Format: Article
Language:English
Subjects:
Bending rigidity
Cholesterol
Computer simulation
Dynamic heterogeneity
Fluctuation
Insecticide
Lipid bilayer
Lipid mixture
Lipid-protein interaction
Membrane topology
Phase separation
Phase transition
Random surface
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Summary:A mini-review is given of some recent advances in the use of computer-simulation approaches to the study of physico-chemical properties of lipid bilayers and biological membranes. The simulations are based on microscopic molecular interaction models as well as random-surface models of fluid membranes. Particular emphasis is put on those properties that are controlled by the many-particle character of the lamellar membrane, i.e. correlations and fluctuations in density, composition and large-scale conformational structure. It is discussed how dynamic membrane heterogeneity arises and how it is affected by various molecular species interacting with membranes, such as cholesterol, drugs, insecticides, as well as polypeptides and integral membrane proteins. The influence of bending rigidity and osmotic-pressure gradients on large-scale membrane conformation and topology is described.
ISSN:0301-4622
1873-4200
DOI:10.1016/0301-4622(94)00142-7