Conformational dependence of electrostatic potential derived charges of a lipid headgroup: Glycerylphosphorylcholine
- 1 June 1992
- journal article
- research article
- Published by Wiley in Journal of Computational Chemistry
- Vol. 13 (5) , 622-632
- https://doi.org/10.1002/jcc.540130512
Abstract
No abstract availableKeywords
This publication has 42 references indexed in Scilit:
- An ab initio distributed multipole study of the electrostatic potential around an undecapeptide cyclosporin derivative and a comparison with point charge electrostatic modelsJournal of Computational Chemistry, 1989
- Representation of the molecular electrostatic potential by atomic multipole and bond dipole modelsJournal of Computational Chemistry, 1988
- Electrostatic interactions in molecular mechanics (MM2) calculations via PEOE partial charges I. HaloalkanesJournal of Computational Chemistry, 1988
- A molecular mechanics study of neutral molecule complexation with crown ethersJournal of Computational Chemistry, 1988
- Molecular dynamics study of a sodium octanoate micelle in aqueous solutionThe Journal of Physical Chemistry, 1988
- Molecular dynamics simulation of disorder transitions in lipid monolayersThe Journal of Physical Chemistry, 1985
- Study of the orientation of thiourea adsorbed on aluminum oxide by tunneling spectroscopy. I. Determination of partial charges from molecular electrostatic potential calculations for thiourea and ureaPhysical Review B, 1985
- Molecular mechanics of kink formation in lipid monolayersThe Journal of Physical Chemistry, 1984
- A method of describing the charge distribution in simple moleculesJournal of the American Chemical Society, 1978
- Determination of partial atomic charges from ab initio molecular electrostatic potentials. Application to formamide, methanol, and formic acidThe Journal of Physical Chemistry, 1978