Monte Carlo studies of lipid chains and gramicidin A in a model membrane.

Abstract:

:The Monte Carlo method has been used to simulate the equilibrium properties of a planar array of 94 saturated lipid chains and one monomer of Gramicidin A. Chains are free to move laterally in the layer plane and to change conformation via gauche rotations and long axis rotations in a continuum. All non-hydrogen atoms on chains and on the Gramicidin A monomer interact via 6-12 potentials, and periodic boundary conditions are imposed. Calculated results consist of order parameter profiles for C-14 and C-16 chains. Profiles are calculated for chains which are neighbors to the Gramicidin A molecule and for chains which are not neighbors to the peptide. The main conclusion is that the average conformations of the chains neighboring the Gramicidin A monomer are very similar to those of the bulk chains.

authors

Xing J,Scott HL

doi

10.1016/0006-291x(89)91025-5

subject

Has Abstract

pub_date

1989-11-30 00:00:00

pages

1-6

issue

1

eissn

0006-291X

issn

1090-2104

pii

0006-291X(89)91025-5

journal_volume

165

pub_type

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