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.
journal_name
Biochem Biophys Res Communjournal_title
Biochemical and biophysical research communicationsauthors
Xing J,Scott HLdoi
10.1016/0006-291x(89)91025-5subject
Has Abstractpub_date
1989-11-30 00:00:00pages
1-6issue
1eissn
0006-291Xissn
1090-2104pii
0006-291X(89)91025-5journal_volume
165pub_type
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