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Updated: Aug 11, 2026

Use of Microscale Thermophoresis to Measure Protein-Lipid Interactions
Published on: February 10, 2022
Interaction of small peptides with lipid bilayers
K V Damodaran1, K M Merz, B P Gaber
1Department of Chemistry, Pennsylvania State University, University Park 16802, USA.
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.
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