Interaction of small peptides with lipid bilayers.

Abstract:

:Molecular dynamics simulations of the tripeptide Ala-Phe-Ala-O-tert-butyl interacting with dimyristoylphosphatidylcholine lipid bilayers have been carried out. The lipid and aqueous environments of the peptide, the alkyl chain order, and the lipid and peptide dynamics have been investigated with use of density profiles, radial distribution functions, alkyl chain order parameter profiles, and time correlation functions. It appears that the alkyl chain region accommodates the peptides in the bilayer with minimal perturbation to this region. The peptide dynamics in the bilayer bound form has been compared with that of the free peptide in water. The peptide structure does not vary on the simulation time scale (of the order of hundreds of picoseconds) compared with the solution structure in which a random structure is observed.

journal_name

Biophys J

journal_title

Biophysical journal

authors

Damodaran KV,Merz KM Jr,Gaber BP

doi

10.1016/S0006-3495(95)79997-0

subject

Has Abstract

pub_date

1995-10-01 00:00:00

pages

1299-308

issue

4

eissn

0006-3495

issn

1542-0086

pii

S0006-3495(95)79997-0

journal_volume

69

pub_type

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