Dissecting the mechanical unfolding of ubiquitin
Irbäck, Anders LU
; Mitternacht, Simon
LU
and Mohanty, Sandipan
LU
(2005)
In Proceedings of the National Academy of Sciences
102(38).
p.13427-13432
- Abstract
- 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... (More)
- 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. (Less)
Please use this url to cite or link to this publication:
https://lup.lub.lu.se/record/222472
- author
- Irbäck, Anders
LU
; Mitternacht, Simon
LU
and Mohanty, Sandipan
LU
- organization
- publishing date
- 2005
- type
- Contribution to journal
- publication status
- published
- subject
- keywords
- Monte Carlo simulation, all-atom model, force-induced unfolding
- in
- Proceedings of the National Academy of Sciences
- volume
- 102
- issue
- 38
- pages
- 13427 - 13432
- publisher
- National Academy of Sciences
- external identifiers
-
- wos:000232115100015
- scopus:26444577856
- ISSN
- 1091-6490
- DOI
- 10.1073/pnas.0501581102
- language
- English
- LU publication?
- yes
- id
- 8fb6382e-759e-44fc-bd67-0c6f3a941383 (old id 222472)
- date added to LUP
- 2016-04-01 11:35:00
- date last changed
- 2023-01-02 20:27:48
@article{8fb6382e-759e-44fc-bd67-0c6f3a941383,
abstract = {{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.}},
author = {{Irbäck, Anders and Mitternacht, Simon and Mohanty, Sandipan}},
issn = {{1091-6490}},
keywords = {{Monte Carlo simulation; all-atom model; force-induced unfolding}},
language = {{eng}},
number = {{38}},
pages = {{13427--13432}},
publisher = {{National Academy of Sciences}},
series = {{Proceedings of the National Academy of Sciences}},
title = {{Dissecting the mechanical unfolding of ubiquitin}},
url = {{http://dx.doi.org/10.1073/pnas.0501581102}},
doi = {{10.1073/pnas.0501581102}},
volume = {{102}},
year = {{2005}},
}