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End-Terminal Capping Effect on Mechanical Property of Transthyretin (TTR105-115) Amyloid Fibril

End-terminal Capping 효과가 아밀로이드 섬유의 기계적 특성에 미치는 영향 연구

  • Received : 2017.01.18
  • Accepted : 2017.04.04
  • Published : 2017.07.01

Abstract

The understanding of the mechanical properties of amyloid fibers, which induce various neurodegenerative diseases, is directly related to the amyloid growth mechanism. Diverse studies have been performed on amyloid fibers from the viewpoint of disease epidemiology. Recently, attempts have been made to use amyloid fibers as new materials because of their notable mechanical properties and self-aggregation abilities. In this study, the mechanical properties of transthyretin (TTR105-115), which induces cardiovascular disease, were evaluated using a molecular dynamics (MD) simulation. In particular, the effect of the end-terminal capping on the structural stability of TTR105-115 was evaluated. The mechanical behavior and properties of TTR105-115 were measured by steered molecular dynamics (SMD). We clarified the factors affecting the mechanical properties of these materials and suggested the possibility of utilizing them as nature inspired materials.

Keywords

Amyloid Fibril;Molecular Dynamics;Steered Molecular Dynamics

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