A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation

Details A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation

2010-06-07

arxiv.org/abs/1006.1209v1

S. Auer, A. Trovato, M. Vendruscolo (2010) A Condensation-Ordering Mechanism in Nanoparticle-Catalyzed Peptide Aggregation. PL

Biology

Quantitative Biology

Biomolecules

Scientific paper

10.1371/journal.pcbi.1000458

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 beta-sheets as their size increases.

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