Molecular dynamics simulation of F-actin reveals the role of cross-linkers in semi-flexible filament assembly

Lam T. Nguyen; Wei Yang; Qi Wang; Linda S. Hirst

doi:10.1039/B817927A

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Soft Matter

Issue 10, 2009

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Molecular dynamics simulation of F-actin reveals the role of cross-linkers in semi-flexible filament assembly

Lam T. Nguyen , Wei Yang , Qi Wang and Linda S. Hirst

Soft Matter, 2009, 5, 2033-2036

DOI: 10.1039/B817927A
Received 14 Oct 2008, Accepted 07 Jan 2009
First published on the web 26 Mar 2009

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Hierarchically ordered protein networks are formed in solution by the self-assembly of F-actin, a semi-flexible biopolymer, in the presence of cross-linkers. We model the assembly of a 3D branching network of filament bundles using a coarse-grained molecular dynamics simulation, finding excellent agreement with experimental observations. We examine the role of cross-linker density on network morphology and filament curvature and observe a clear evolution from a loose single filament network to a network of bundles generated by cross-linker-induced branch points.

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Soft Matter

Molecular dynamics simulation of F-actin reveals the role of cross-linkers in semi-flexible filament assembly

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