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Extending a spectrin repeat unit. I: linear force-extension response.


ABSTRACT: 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.

SUBMITTER: Paramore S 

PROVIDER: S-EPMC1367040 | biostudies-literature | 2006 Jan

REPOSITORIES: biostudies-literature

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Extending a spectrin repeat unit. I: linear force-extension response.

Paramore Sterling S   Ayton Gary S GS   Mirijanian Dina T DT   Voth Gregory A GA  

Biophysical journal 20051014 1


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  ...[more]

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