Molecular dynamics simulation of unsaturated lipid bilayers at low hydration: parameterization and comparison with diffraction studies.
Biophys J
; 73(5): 2269-79, 1997 Nov.
Article
em En
| MEDLINE
| ID: mdl-9370424
ABSTRACT
A potential energy function for unsaturated hydrocarbons is proposed and is shown to agree well with experiment, using molecular dynamics simulations of a water/octene interface and a dioleoyl phosphatidylcholine (DOPC) bilayer. The simulation results verify most of the assumptions used in interpreting the DOPC experiments, but suggest a few that should be reconsidered. Comparisons with recent results of a simulation of a dipalmitoyl phosphatidylcholine (DPPC) lipid bilayer show that disorder is comparable, even though the temperature, hydration level, and surface area/lipid for DOPC are lower. These observations highlight the dramatic effects of unsaturation on bilayer structure.
Texto completo:
1
Coleções:
01-internacional
Base de dados:
MEDLINE
Assunto principal:
Alcenos
/
Bicamadas Lipídicas
Tipo de estudo:
Health_economic_evaluation
Idioma:
En
Revista:
Biophys J
Ano de publicação:
1997
Tipo de documento:
Article
País de afiliação:
Estados Unidos