Structure and stability of chiral beta-tapes: a computational coarse-grained approach
Soft Condensed Matter
2009-11-11 v1 Statistical Mechanics
Biomolecules
Abstract
We present two coarse-grained models of different levels of detail for the description of beta-sheet tapes obtained from equilibrium self-assembly of short rationally designed oligopeptides in solution. Here we only consider the case of the homopolymer oligopeptides with the identical sidegroups attached, in which the tapes have a helicoid surface with two equivalent sides. The influence of the chirality parameter on the geometrical characteristics, namely the diameter, inter-strand distance and pitch, of the tapes have been investigated. The two models are found to produceequivalent results suggesting a considerable degree of universality in conformations of the tapes.
Cite
@article{arxiv.cond-mat/0501285,
title = {Structure and stability of chiral beta-tapes: a computational coarse-grained approach},
author = {G. Bellesia and M. V. Fedorov and Yu. A. Kuznetsov and E. G. Timoshenko},
journal= {arXiv preprint arXiv:cond-mat/0501285},
year = {2009}
}
Comments
24 pages, 5 PS figures. Accepted to J. Chem. Phys