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- W2018996869 abstract "Abstract The energetically most stable head group conformations of a racemic mixture of diacyl-glycero-phosphorylethanolamine in a planar quasihexagonal lattice were calculated using empirical 1-6-12 atom-atom potential functions for intra- and intermolecular interactions. The results demonstrate that the conformation of phospholipid head groups in bilayer systems is determined by intramolecular interactions as well as by intermolecular interactions with neighbouring phospholipid molecules and with solvent molecules. The most stable conformers are that with a φ 2 = guache − conformation of the phosphodiester group. All conformers with a φ 2 = gauche (+) or trans conformation have energies more than 15 kcal ☆ mol −1 above that of the global minimum. The calculated torsional angles ϕ1 and φ1 are in very good agreement with the results of the X-ray diffraction analysis of 1,2-dilauroyl-DL-phosphatidylethanolamine (DLPE) acetic acid single crystals." @default.
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- W2018996869 date "1978-11-01" @default.
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- W2018996869 title "Quantum-chemical and empirical calculations on phospholipids IV. Glycero-phosphorylethanolamine in a quasihexagonal planar lattice" @default.
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- W2018996869 doi "https://doi.org/10.1016/0009-3084(78)90022-1" @default.
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