Structural transitions in model β-sheet tapes

被引：17

作者：

Bellesia, Giovanni ^{[1
]}

Fedorov, Maxim V. ^{[2
]}

Timoshenko, Edward G. ^{[2
]}

机构：

[1] Univ Coll Dublin, Sch Chem & Chem Biol, Dublin 4, Ireland

[2] Univ Coll Dublin, Conway Inst Biomol & Biomed Res, Ctr Synth & Chem Biol, Sch Chem & Chem Biol, Dublin 4, Ireland

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 128卷 / 19期

关键词：

D O I：

10.1063/1.2909550

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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, 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. (c) 2008 American Institute of Physics.

引用

页数：7

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