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Foto på Anders Irbäck

Anders Irbäck

Professor

Foto på Anders Irbäck

Dissecting the mechanical unfolding of ubiquitin

Författare

  • Anders Irbäck
  • Simon Mitternacht
  • Sandipan Mohanty

Summary, in English

The unfolding behavior of ubiquitin under the influence of a stretching force recently was investigated experimentally by single-molecule constant-force methods. Many observed unfolding traces had a simple two-state character, whereas others showed clear evidence of intermediate states. Here, we use Monte Carlo simulations to investigate the force-induced unfolding of ubiquitin at the atomic level. In agreement with experimental data, we find that the unfolding process can occur either in a single step or through intermediate states. In addition to this randomness, we find that many quantities, such as the frequency of occurrence of intermediates, show a clear systematic dependence on the strength of the applied force. Despite this diversity, one common feature can be identified in the simulated unfolding events, which is the order in which the secondary-structure elements break. This order is the same in two and three-state events and at the different forces studied. The observed order remains to be verified experimentally but appears physically reasonable.

Avdelning/ar

  • Beräkningsbiologi och biologisk fysik - Genomgår omorganisation
  • Institutionen för astronomi och teoretisk fysik - Genomgår omorganisation

Publiceringsår

2005

Språk

Engelska

Sidor

13427-13432

Publikation/Tidskrift/Serie

Proceedings of the National Academy of Sciences

Volym

102

Issue

38

Dokumenttyp

Artikel i tidskrift

Förlag

National Academy of Sciences

Ämne

  • Biophysics

Nyckelord

  • Monte Carlo simulation
  • all-atom model
  • force-induced unfolding

Status

Published

ISBN/ISSN/Övrigt

  • ISSN: 1091-6490