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Mechanical unfolding of ubiquitin molecules.

Publication ,  Journal Article
Cieplak, M; Marszalek, PE
Published in: The Journal of chemical physics
November 15, 2005

Mechanical stretching of ubiquitin and of its several repeats are studied through molecular-dynamics simulations. A Go-type model [H. Abe and N. Go, Biopolymers 20, 1013 (1981)] with a realistic contact map and with Lennard-Jones contact interactions is used. The model qualitatively reproduces the experimentally observed differences between force-extension patterns obtained on polyubiquitins stretched by various linkages. The terminal-to-terminal stretching of polyubiquitin results in peak forces similar to those measured for titin-based polyproteins and of a magnitude that matches measurements. Consistent with the experimental measurements, the simulated peak forces depend on the pulling speed logarithmically when thermal fluctuations are explicitly introduced. These results validate the application of topology-based models in the study of the mechanical stretching of proteins.

Duke Scholars

Published In

The Journal of chemical physics

ISSN

0021-9606

Publication Date

November 15, 2005

Volume

123

Issue

19

Start / End Page

194903

Related Subject Headings

  • Chemical Physics
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences
 

Citation

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Cieplak, M., & Marszalek, P. E. (2005). Mechanical unfolding of ubiquitin molecules. The Journal of Chemical Physics, 123(19), 194903.
Cieplak, M., and P. E. Marszalek. “Mechanical unfolding of ubiquitin molecules.The Journal of Chemical Physics 123, no. 19 (November 15, 2005): 194903.
Cieplak M, Marszalek PE. Mechanical unfolding of ubiquitin molecules. The Journal of chemical physics. 2005 Nov 15;123(19):194903.
Cieplak, M., and P. E. Marszalek. “Mechanical unfolding of ubiquitin molecules.The Journal of Chemical Physics, vol. 123, no. 19, Nov. 2005, p. 194903.
Cieplak M, Marszalek PE. Mechanical unfolding of ubiquitin molecules. The Journal of chemical physics. 2005 Nov 15;123(19):194903.

Published In

The Journal of chemical physics

ISSN

0021-9606

Publication Date

November 15, 2005

Volume

123

Issue

19

Start / End Page

194903

Related Subject Headings

  • Chemical Physics
  • 09 Engineering
  • 03 Chemical Sciences
  • 02 Physical Sciences