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Quantum-chemical and empirical calculations on phospholipids. VII. The conformational behaviour of the phosphatidylcholine headgroup in layer systems

โœ Scribed by H. Frischleder


Publisher
Elsevier Science
Year
1980
Tongue
English
Weight
446 KB
Volume
27
Category
Article
ISSN
0009-3084

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๐Ÿ“œ SIMILAR VOLUMES


Quantum-chemical and empirical calculati
โœ H. Frischleder; G. Peineil ๐Ÿ“‚ Article ๐Ÿ“… 1980 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 468 KB

Using 1-6-12 atom-atom potential functions with a solvent-averaged electrostatic potential U = qlqi/(~D(r)rli) between the charges ql and qj the stereospecific interaction of Na\* with clusters of L-glycero-phosphorylethanolamine (GPE) and -choline (GPC) in a two-dimensional planar lattice was calcu

Quantum-chemical and empirical calculati
โœ T. Weller; H. Frischleder ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 144 KB

The conformational behaviour and the charge distribution of methylphosphorylcholine has been analyzed within the framework of the PCILO method including phosphorus-oxygen o-and 7r-bonds. In the global minimum of energy the -O-P-O-C-C chain has a (-synclinal, -synclinal, -syn/anticlinal, +anticlinal)

Quantum-chemical and empirical calculati
โœ G. Peinel; H. Frischleder; H. Binder ๐Ÿ“‚ Article ๐Ÿ“… 1983 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 496 KB

Using 1-6-12 empirical functions with a solvent-averaged electrostatic contribution qrqj/e (rlj)ร— rtj and electrostatic potentials from CNDO-type wavefunctions, the development of specific interactions of ions visualized by the molecular electrostatic potential of PO4-group containing molecules was

Quantum-chemical and empirical calculati
โœ Gustav Peinel ๐Ÿ“‚ Article ๐Ÿ“… 1975 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 206 KB

A modified CNDO-APSG procedure to obtain the charge distributions of the headgroups of phosphatidylserine, -ethanolamine and -choline as monomers and as constituents of hexagonal lattice is presented. The calculated charge distributions are typically zwitter-ionic. There is only a small difference b