Structure and stability of chiral beta-tapes: a computational coarse-grained approach

Details Structure and stability of chiral beta-tapes: a computational coarse-grained approach Structure and stability of chiral beta-tapes: a computational coarse-grained approach

2005-01-12

arxiv.org/abs/cond-mat/0501285v1

Physics

Condensed Matter

Soft Condensed Matter

24 pages, 5 PS figures. Accepted to J. Chem. Phys

Scientific paper

10.1063/1.1866012

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.

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