Conformational Analysis of Hexagonal Arrangements of Phosphatidylcholine Head Groups with Bound Waters by Molecular Mechanics

Yoshiro NAKATA*, Akira TAKAHASHI*1 and Toshiharu TAKIZAWA*1

*Department of Chemistry and *1Department of Physics, Faculty of General Studies, Gunma University, 4-2 Aramaki, Maebashi 371, Japan

(Recieved : April 1, 1992)

Molecular mechanics was applied for determination of favorable hydration modes to the phosphate group in the phosphatidylcholine head group. The result shows that there are three favorable hexagonal arrangements of the head groups, in all of which five water molecules can be placed around each phosphate group.

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