论文标题

分子电动机对聚合物的非平衡作用

Non-Equilibrium Effects of Molecular Motors on Polymers

论文作者

Foglino, M., Locatelli, E., Brackley, C. A., Michieletto, D., Likos, C., Marenduzzo, D.

论文摘要

我们提出了一个通用的粗粒模型,以描述作用于聚合物底物上的分子电机,例如模仿微管上DNA或驱动蛋白上的RNA聚合酶。聚合物被建模为连接的珠子链。电动机表示为自由扩散的珠子,在遇到底物后,通过短距离的有吸引力的电位结合到它。当绑定时,电动机和聚合物珠会经历平等和相反的活力,该力是指向聚合物的。这导致电动机沿聚合物轮廓运动。包含显式电动机将我们的模型与其他最近的活性聚合物模型区分开来。我们通过Langevin动力学模拟研究运动活性对底物构象和动力学特性的影响。我们发现,除了预期的聚合物扩散增强外,活动还导致其持久长度的有效降低。我们发现,这种有效的“软化”是双重分支或发夹的出现的结果,并且可以通过更改电动机数量或产生的力来调整它。最后,我们研究了电动机对结形成概率的影响。违反直觉的模拟表明,即使在平衡下,更灵活的底物也会显示出更高的打结概率,但运动活动的发生率显着下降,而相对于平衡,打结构象的发生。

We present a generic coarse-grained model to describe molecular motors acting on polymer substrates, mimicking, for example, RNA polymerase on DNA or kinesin on microtubules. The polymer is modeled as a connected chain of beads; motors are represented as freely diffusing beads which, upon encountering the substrate, bind to it through a short-ranged attractive potential. When bound, motors and polymer beads experience an equal and opposite active force, directed tangential to the polymer; this leads to motion of the motors along the polymer contour. The inclusion of explicit motors differentiates our model from other recent active polymer models. We study, by means of Langevin dynamics simulations, the effect of the motor activity on both the conformational and dynamical properties of the substrate. We find that activity leads, in addition to the expected enhancement of polymer diffusion, to an effective reduction of its persistence length. We discover that this effective "softening" is a consequence of the emergence of double-folded branches, or hairpins, and that it can be tuned by changing the number of motors or the force they generate. Finally, we investigate the effect of the motors on the probability of knot formation. Counter-intuitively our simulations reveal that, even though at equilibrium a more flexible substrate would show an increased knotting probability, motor activity leads to a marked decrease in the occurrence of knotted conformations with respect to equilibrium.

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