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Analyzing three-dimensional movements of molecular shuttles driven by kinesin with computer simulation

机译:用计算机模拟分析驱动蛋白驱动的分子穿梭分子的三维运动

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摘要

Motor protein kinesin has been utilized as nano-and microscale material transport system (so-called molecular shuttles driven by kinesin motors). Successful transports rely on guidance of molecular shuttles movements with microfabricated guiding tracks. Predictions of guiding probability at the boundaries are important in designing microfabricated tracks. In this study, we computed the guiding probabilities for three different guiding tracks with our simulation:(1) tracks with selective absorption of kinesins (chemical tracks); (2) tracks with microfabricated guiding walls covered with kinesins (topographic tracks); and (3) tracks with microfabriacted guiding wall without adsorption of kinesins (combined tracks). We reproduced experimental guiding probabilities qualitatively, and revealed mechanisms of the guidance and the dissociation of the shuttles at the boundary by visualizing the movements of the microtubules with a three-dimensional simulation.
机译:运动蛋白驱动蛋白已被用作纳米和微米级的材料运输系统(由驱动蛋白驱动的所谓分子穿梭)。成功的运输依赖于带有微细加工的导轨的分子穿梭运动的引导。边界处的引导概率的预测对于设计微细加工的轨道非常重要。在本研究中,我们通过模拟计算了三种不同引导轨迹的引导概率:(1)选择性吸收驱动蛋白的轨迹(化学轨迹); (2)带有微动导向壁且覆盖有驱动蛋白的轨道(地形轨道); (3)具有微结构导向壁且不吸收驱动蛋白的轨道(组合轨道)。我们定性地再现了实验的指导概率,并通过三维模拟可视化微管的运动,揭示了在边界的航天飞机的指导和解离的机理。

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