Paper Info
Title
Exploring The Structure And Stability Of Cholesterol Dimer Formation In Multicomponent Lipid Bilayers
Abstract
For 40 years, the existence and possible functional importance of cholesterol dimer formation has been discussed. Due to challenges associated with structural studies of membrane lipids, there has as yet been no direct experimental verification of the existence and relevance of the cholesterol dimer. Building on recent advances in lipid force fields for molecular simulation, in this work the structure and stability of the cholesterol dimer is characterized in POPC bilayers in absence and presence of sphingomyelin. The cholesterol dimer structural ensemble is found to consist of sub-states that reflect, but also differ from, previously proposed dimer structures. While face-to-face dimer structures predominate, no evidence is found for the existence of tail-to-tail dimers in POPC lipid bilayers. Near stoichiometric complex formation of cholesterol with sphingomyelin is found to effect cholesterol dimer structure without impacting population. Comparison with NMR-derived order parameters provide validation for the simulation model employed and conclusions drawn related to the structure and stability of cholesterol dimers in multicomponent lipid bilayers. (c) 2016 Wiley Periodicals, Inc.
Year
DOI
Venue
2017
10.1002/jcc.24516
JOURNAL OF COMPUTATIONAL CHEMISTRY
Keywords
Field
DocType
cholesterol, sphingomyelin, lipid aggregation, lipid bilayers, cholesterol dimer, membrane domain formation
Population,Sphingomyelin,Cholesterol,Organic chemistry,Biophysics,Molecular simulation,Membrane lipids,Computational chemistry,Chemistry,POPC,Lipid bilayer,Dimer
Journal
Volume
Issue
ISSN
38
16
0192-8651
Citations 
PageRank 
References 
0
0.34
5
Authors
4
Name
Order
Citations
PageRank
Asanga Bandara100.68
Afra Panahi200.68
George A Pantelopulos300.34
John E. Straub453.42