Lam T. Nguyen

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

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.