Interactions of hydrophobic peptides with lipid bilayers: Monte Carlo simulations with M2delta.

ABSTRACT: We introduce here a novel Monte Carlo simulation method for studying the interactions of hydrophobic peptides with lipid membranes. Each of the peptide's amino acids is represented as two interaction sites: one corresponding to the backbone alpha-carbon and the other to the side chain, with the membrane represented as a hydrophobic profile. Peptide conformations and locations in the membrane and changes in the membrane width are sampled using the Metropolis criterion, taking into account the underlying energetics. Using this method we investigate the interactions between the hydrophobic peptide M2delta and a model membrane. The simulations show that starting from an extended conformation in the aqueous phase, the peptide first adsorbs onto the membrane surface, while acquiring an ordered h

SUBMITTER: Kessel A 

PROVIDER: S-EPMC1303652 | biostudies-literature | 2003 Dec

REPOSITORIES: biostudies-literature