Molecular dynamics simulation of the structure of dimyristoylphosphatidylcholine bilayers with cholesterol, ergosterol, and lanosterol.

Abstract:

:Five molecular dynamics computer simulations were performed on different phospholipid:sterol membrane systems in order to study the influence of sterol structure on membrane properties. Three of these simulated bilayer systems were composed of a 1:8 sterol:phospholipid ratio, each of which employed one of the sterol molecules: cholesterol, ergosterol, and lanosterol. The two other simulations were of a bilayer with a 1:1 sterol:phospholipid ratio. These simulations employed cholesterol and lanosterol, respectively, as their sterol components. The observed differences in simulations with cholesterol and lanosterol may have their implication on the form of the phospholipid/sterol phase diagram.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Smondyrev AM,Berkowitz ML

doi

10.1016/S0006-3495(01)76137-1

subject

Has Abstract

pub_date

2001-04-01 00:00:00

pages

1649-58

issue

4

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(01)76137-1

journal_volume

80

pub_type

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