Multiscale modeling and simulation of microtubule–motor-protein assemblies

Tong Gao, Robert Blackwell, Matthew A. Glaser, M. D. Betterton, and Michael J. Shelley
Phys. Rev. E 92, 062709 – Published 10 December 2015
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Abstract

Microtubules and motor proteins self-organize into biologically important assemblies including the mitotic spindle and the centrosomal microtubule array. Outside of cells, microtubule-motor mixtures can form novel active liquid-crystalline materials driven out of equilibrium by adenosine triphosphate–consuming motor proteins. Microscopic motor activity causes polarity-dependent interactions between motor proteins and microtubules, but how these interactions yield larger-scale dynamical behavior such as complex flows and defect dynamics is not well understood. We develop a multiscale theory for microtubule-motor systems in which Brownian dynamics simulations of polar microtubules driven by motors are used to study microscopic organization and stresses created by motor-mediated microtubule interactions. We identify polarity-sorting and crosslink tether relaxation as two polar-specific sources of active destabilizing stress. We then develop a continuum Doi-Onsager model that captures polarity sorting and the hydrodynamic flows generated by these polar-specific active stresses. In simulations of active nematic flows on immersed surfaces, the active stresses drive turbulent flow dynamics and continuous generation and annihilation of disclination defects. The dynamics follow from two instabilities, and accounting for the immersed nature of the experiment yields unambiguous characteristic length and time scales. When turning off the hydrodynamics in the Doi-Onsager model, we capture formation of polar lanes as observed in the Brownian dynamics simulation.

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  • Received 31 July 2015

DOI:https://doi.org/10.1103/PhysRevE.92.062709

©2015 American Physical Society

Authors & Affiliations

Tong Gao1, Robert Blackwell2, Matthew A. Glaser2, M. D. Betterton2, and Michael J. Shelley1

  • 1Courant Institute of Mathematical Sciences, New York University, New York, New York 10012, USA
  • 2Department of Physics, University of Colorado, Boulder, Colorado 80309, USA

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Issue

Vol. 92, Iss. 6 — December 2015

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