A theoretical framework for the biophysics of tubulins

Abstract

Microtubules (MTs), the intracellular structures, are made-up of polar polymers that are composed of [Formula: see text] and [Formula: see text] tubulins. The functions of MTs are shape the way for vesicles movement and asexual mitosis division. However, one of the main functions of MTs is stability of cells. Fewer geometrical methods are available in the literature to explore the molecular dynamics (MDs) of a MT, which is a difficult task due to its microscopic size and complex structure. A structural mechanics model with rather similar properties to MT can demonstrate the dynamics of MT. The first and most important step for this process is to obtain the interaction force between tubulins, and a mechanical model can be used to simulate the mechanical and dynamical properties of MTs by using meso- and macro-scale simulations. This work reports the interaction properties of [Formula: see text]–[Formula: see text] tubulin in MT. During this research, with the aid of the MD simulations, the interaction energy in [Formula: see text]–[Formula: see text] dimer is evaluated. The alpha-beta force–distance diagram is sketched with the aid of force and energy formulae. Thus, the graphical analysis supported the findings of this study.