Mechanics of Microtubules from a Coarse-Grained Model

We develop a coarse-grained model for the microtubule (MT) based on its α and β subunits and many-body interactions between them. Thermodynamic and mechanical properties of MTs are investigated using this model by performing molecular dynamics (MD) simulations, which is validated by reproducing basic mechanical properties of MTs in consistence with experiments. Based on simulations results, phenomena observed such as the length dependence of persistence length, mechanically induced disaggregation, and coupling between bending, shear, and twisting deformation are discussed. The simple model presented here lays the ground for further exploration of MTs mechanics and cellular energetics where MTs are involved.