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. 2008 Jul 31;5(5):230–239. doi: 10.7150/ijms.5.230

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© Ivyspring International Publisher. This is an open-access article distributed under the terms of the Creative Commons License (http://creativecommons.org/licenses/by-nc-nd/3.0/). Reproduction is permitted for personal, noncommercial use, provided that the article is in whole, unmodified, and properly cited.

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Molecular dynamic simulations. The figure shows a secondary structure analysis of a 10 ns MD simulation of CAI-BioShuttle. BioShuttle looses helical structure (shown in red) after about 2 ns simulation time and prefers a 'turn'–like (blue) orientation of the backbone torsions for the rest of the simulation time (top). Statistics of the secondary structure motifs per residue (bottom) showing that the probability for α-helical structure is low for the BioShuttle whereas the α-helical properties of the CAI moiety are very high.