Manipulating molecular scale bio-nanorobots and influencing their behaviour is one of the major challenges of new researches. Many coiled coil type proteins are involved in important biological functions due to physical properties that make them ideal for both nanoscale manipulation and sensing. The Prefoldin beta subunit from Thermococcus strain KS-1(Prefoldin β1) is one of the possible proteins that can serve as a new bio-nano-actuator. Besides having a balanced architecture, Prefoldin β1 can exhibit a wide range of exclusive authorities. In this study, steered molecular dynamics simulation is applied along with the centre of mass pulling and analyses of Prefoldin β1 conformational changes to characterise some of those abilities. Thus, applying external mechanical force without any position constraint shows that it has no movement throughout simulations. This proposes a novel method to capture different sizes and shapes of cargoes. During simulations, each arm was found to be very flexible, allowing it to enlarge its central cavity and capture different cargoes. For a more accurate analysis, the variations in the cavity of nano-actuator are investigated qualitatively and quantitatively with different parameters. Also, the force analysis of the arms can provide us with decent information about the performance of this nano-actuator.

中文翻译：

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研究 Prefoldin β1 的构象变化作为施加外部机械力的结果而没有任何位置限制。

操纵分子级生物纳米机器人并影响它们的行为是新研究的主要挑战之一。由于物理特性使其成为纳米级操作和传感的理想选择，许多卷曲螺旋型蛋白质参与重要的生物学功能。Prefoldin β 亚基来自嗜热球菌KS-1菌株（Prefoldin β1）是一种可能的蛋白质，可以作为一种新的生物纳米致动器。除了具有平衡的结构外，Prefoldin β1 还可以表现出广泛的专有权限。在这项研究中，转向分子动力学模拟与质心牵引和 Prefoldin β1 构象变化分析一起应用，以表征其中一些能力。因此，在没有任何位置约束的情况下施加外部机械力表明它在整个模拟过程中没有运动。这提出了一种捕捉不同尺寸和形状货物的新方法。在模拟过程中，发现每个手臂都非常灵活，可以扩大其中心腔并捕获不同的货物。为了更准确的分析，采用不同的参数定性和定量地研究了纳米致动器空腔的变化。此外，手臂的力分析可以为我们提供有关这种纳米致动器性能的体面信息。