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  4. Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-beta
 
research article

Nucleation Process of a Fibril Precursor in the C-Terminal Segment of Amyloid-beta

Baftizadeh, Fahimeh
•
Pietrucci, Fabio  
•
Biarnes, Xevi
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2013
Physical Review Letters

By extended atomistic simulations in explicit solvent and bias-exchange metadynamics, we study the aggregation process of 18 chains of the C-terminal segment of amyloid-beta, an intrinsically disordered protein involved in Alzheimer's disease and prone to form fibrils. Starting from a disordered aggregate, we are able to observe the formation of an ordered nucleus rich in beta sheets. The rate limiting step in the nucleation pathway involves crossing a barrier of approximately 40 kcal/mol and is associated with the formation of a very specific interdigitation of the side chains belonging to different sheets. This structural pattern is different from the one observed experimentally in a microcrystal of the same system, indicating that the structure of a "nascent'' fibril may differ from the one of an "extended'' fibril. DOI: 10.1103/PhysRevLett.110.168103

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Type
research article
DOI
10.1103/PhysRevLett.110.168103
Web of Science ID

WOS:000317813800003

Author(s)
Baftizadeh, Fahimeh
Pietrucci, Fabio  
Biarnes, Xevi
Laio, Alessandro
Date Issued

2013

Publisher

Amer Physical Soc

Published in
Physical Review Letters
Volume

110

Issue

16

Article Number

168103

Editorial or Peer reviewed

REVIEWED

Written at

EPFL

EPFL units
ITP  
Available on Infoscience
October 1, 2013
Use this identifier to reference this record
https://infoscience.epfl.ch/handle/20.500.14299/95493
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