Structural transitions in model beta-sheet tapes.

  title={Structural transitions in model beta-sheet tapes.},
  author={Giovanni Bellesia and Maxim V. Fedorov and Edward G. Timoshenko},
  journal={The Journal of chemical physics},
  volume={128 19},
We present a molecular-scale simulation study of the structural transitions between helicoidal, helical, and tubular geometries in supramolecular beta-sheet tapes. Such geometries have been observed in different self-assembled amyloid systems (based on either natural or synthetic peptides) for which the beta-sheet tapes represent the simplest fibrillar aggregates. A coarse-grained model for the beta-sheet tapes is proposed, with chiral degrees of freedom and asymmetrical chemical properties… CONTINUE READING

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