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

G. Bellesia·M. V. Fedorov·Yu. A. Kuznetsov·E. G. Timoshenko
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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.

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G. Bellesia, M. V. Fedorov, Yu. A. Kuznetsov, E. G. Timoshenko. 2005-01-12. Structure and stability of chiral beta-tapes: a computational coarse-grained approach. https://doi.org/10.1063/1.1866012

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