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Originally published as Biophys J. BioFAST on October 14, 2005.
doi:10.1529/biophysj.105.066969
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Biophysical Journal 90:92-100 (2006)
© 2006 The Biophysical Society

Extending a Spectrin Repeat Unit. I: Linear Force-Extension Response

Sterling Paramore, Gary S. Ayton, Dina T. Mirijanian and Gregory A. Voth

Center for Biophysical Modeling and Simulation and Department of Chemistry, University of Utah, Salt Lake City, Utah

Correspondence: Address reprint requests to G. A. Voth, Tel.: 801-581-7272; E-mail: voth{at}chem.utah.edu.

Nonequilibrium molecular dynamics simulations were used to calculate the elastic properties of a spectrin repeat unit. A contiguous {alpha}-helical linker was constructed by employing periodic boundary conditions, allowing a novel scheme for evaluating the thermodynamic force as a function of extension. By measuring the force-extension response under small extensions, spectrin was observed to behave primarily as an elastic material with a spring constant of 1700 ± 100 pN/nm. The implications of this spring constant, in terms of the properties of the spectrin tetramer, are also discussed.




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