Vesicle shapes from molecular dynamics simulations
Article Abstract:
A molecular dynamics study of the effect of small changes in the phospholipid headgroups on the spontaneous curvature of the bilayer and on the resulting vesicle shape transformations is presented. Vesicles shapes formed include ellipsoids, discoids, pear-shaped vesicles, cup-shaped vesicles, as well as budded vesicles and a comparison of these vesicles with theoretically derived vesicle shapes reveals both resemblances and differences.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Influence of pyrene-labeling on fluid lipid membranes
Article Abstract:
The influence of pyrene-labeled phospholipids on the structural properties of a fluid dipalmitoylphosphatidylcholine lipid membrane is elucidated. The pyrene labeling is found to perturb the membrane structure significantly in the vicinity of the probe, the correlation length in the bilayer plane being about 1.0-1.5 nm.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2006
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Distribution, orientation, and dynamics of DPH probes in DPPC bilayer
Article Abstract:
The distribution, orientation, and dynamics of 1,6-diphenyl-1,3,5-hexatriene (DPH) fluorescence probes in a dipalmitoylphosphatidylcholine (DPPC) bilayer were studied using 50 ns molecular dynamics. The results indicated that DPH did not prefer to be embedded in the membrane center where free volume was largest.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 2004
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- Abstracts: A molecular dynamics investigation of the influence of hydration and temperature on structural and dynamical properties of a dimyristoylphosphatidylcholine bilayer
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