Structural transitions in model Β -sheet tapes

Giovanni Bellesia, Maxim V. Fedorov, Edward G. Timoshenko

Research output: Contribution to journalArticlepeer-review

12 Citations (Scopus)

Abstract

We present a molecular-scale simulation study of the structural transitions between helicoidal, helical, and tubular geometries in supramolecular Β -sheet tapes. Such geometries have been observed in different self-assembled amyloid systems (based on either natural or synthetic peptides) for which the Β -sheet tapes represent the simplest fibrillar aggregates. A coarse-grained model for the Β -sheet tapes is proposed, with chiral degrees of freedom and asymmetrical chemical properties, which provides a quantitative characterization of the structural transitions. A quantitative connection is established between the molecular properties and the elastic parameters of the supramolecular tapes.

Original languageEnglish
Article number195105
JournalJournal of Chemical Physics
Volume128
Issue number19
DOIs
Publication statusPublished - 2008
Externally publishedYes

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