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Biophys J, August 1998, p. 734-744, Vol. 75, No. 2

Phospholipid Component Volumes: Determination and Application to Bilayer Structure Calculations

Roger S. Armen, Olivia D. Uitto, and Scott E. Feller

Department of Chemistry, Whitman College, Walla Walla, Washington 99362 USA

We present a new method for the determination of bilayer structure based on a combination of computational studies and laboratory experiments. From molecular dynamics simulations, the volumes of submolecular fragments of saturated and unsaturated phosphatidylcholines in the liquid crystalline state have been extracted with a precision not available experimentally. Constancy of component volumes, both among different lipids and as a function of membrane position for a given lipid, have been examined. The component volumes were then incorporated into the liquid crystallographic method described by Wiener and White (1992. Biophys. J. 61:434-447, and references therein) for determining the structure of a fluid-phase dioleoylphosphatidylcholine bilayer from x-ray and neutron diffraction experiments.

Biophys J, August 1998, p. 734-744, Vol. 75, No. 2
© 1998 by the Biophysical Society   0006-3495/98/08/734/11  $2.00


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