Journal of Chemical Software
Online ISSN : 1883-8359
Print ISSN : 0918-0761
ISSN-L : 0918-0761
Conformational Analysis of Hexagonal Arrangements of Phosphatidylchloline Head Groups with Bound Waters by Molecular Mechanics
Yoshiro NAKATAAkira TAKAHASHIToshiharu TAKIZAWA
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1992 Volume 1 Issue 1 Pages 39-44

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Abstract

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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© Society of Computer Chemistry, Japan
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