Abstract:
:A 15-ns molecular dynamics simulation of the fully hydrated liquid-crystalline dimyristoylphosphatidylcholine-cholesterol (DMPC-Chol) bilayer containing approximately 22 mol% Chol was carried out. The generated trajectory was analysed to investigate the mechanism of the Chol condensing effect on DMPC hydrocarbon chains and the influence of Chol on the chain packing in the membrane. Chol was found to induce stronger van der Waals interactions among the chains, whereas its interactions with the chains were weak. In the DMPC-Chol bilayer, as in the DMPC bilayer, DMPC chains were regularly packed around a chosen chain but around a Chol molecule they were not. DMPC gamma chains made closer contacts with Chol than the beta chains.
journal_name
FEBS Lettjournal_title
FEBS lettersauthors
Róg T,Pasenkiewicz-Gierula Mdoi
10.1016/s0014-5793(01)02668-0keywords:
subject
Has Abstractpub_date
2001-07-27 00:00:00pages
68-71issue
1-2eissn
0014-5793issn
1873-3468pii
S0014-5793(01)02668-0journal_volume
502pub_type
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