White Rose University Consortium logo
University of Leeds logo University of Sheffield logo York University logo

A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation

Auer, S., Trovato, A., Vendruscolo, M. and Hummer, G. (2009) A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation. PLoS Computational Biology, 5 (8). e1000458. ISSN 1553-7358


Nanoparticles introduced in living cells are capable of strongly promoting the aggregation of peptides and proteins. We use here molecular dynamics simulations to characterise in detail the process by which nanoparticle surfaces catalyse the self-assembly of peptides into fibrillar structures. The simulation of a system of hundreds of peptides over the millisecond timescale enables us to show that the mechanism of aggregation involves a first phase in which small structurally disordered oligomers assemble onto the nanoparticle and a second phase in which they evolve into highly ordered as their size increases.

Item Type: Article
Copyright, Publisher and Additional Information: © 2009 Auer et al. This is an open-access article distributed under the terms of the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
Institution: The University of Leeds
Academic Units: The University of Leeds > University of Leeds Research Centres and Institutes > Centre for Self-Organising Molecular Systems (Leeds)
Depositing User: Sherpa Assistant
Date Deposited: 09 Nov 2009 10:09
Last Modified: 24 Jun 2014 09:37
Published Version: http://dx.doi.org/10.1371/journal.pcbi.1000458
Status: Published
Publisher: Public Library of Science
Identification Number: 10.1371/journal.pcbi.1000458
URI: http://eprints.whiterose.ac.uk/id/eprint/10091

Actions (repository staff only: login required)