标题： 驱动蛋白马达的动力学结构视角 显示英文标题

标题： A structural perspective on the dynamics of kinesin motors

摘要： 尽管在热噪声下存在显著波动，细胞中的生物机器仍能以极高的精度执行其任务。 通过粗粒化模型的分子模拟和理论论证，我们设想了驱动蛋白——一种生物机器的原型——如何产生力并调节其动力学以维持持续的运动行为。 采用了一种基于结构的模型，该模型能够在保持天然折叠结构的同时，灵活适应外部应力，以此解释驱动蛋白在生化循环中的多种动力学特性。 这一分析补充了我们对驱动蛋白动力学及与实验联系的当前理解。 我们提出了一个驱动蛋白的热力学循环，强调了颈部连接区在机械和调控方面的作用，并阐明了与马达方向性以及外源制动力与负责头部协调的内源张力之间差异相关的问题。 驱动蛋白的热力学循环与宏观热机的比较突显了结构变化作为生物分子机器做功来源的重要性。 显示英文摘要

摘要： Despite significant fluctuation under thermal noise, biological machines in cells perform their tasks with exquisite precision. Using molecular simulation of a coarse-grained model and theoretical arguments we envisaged how kinesin, a prototype of biological machines, generates force and regulates its dynamics to sustain persistent motor action. A structure based model, which can be versatile in adapting its structure to external stresses while maintaining its native fold, was employed to account for several features of kinesin dynamics along the biochemical cycle. This analysis complements our current understandings of kinesin dynamics and connections to experiments. We propose a thermodynamic cycle for kinesin that emphasizes the mechanical and regulatory role of the neck-linker and clarify issues related the motor directionality, and the difference between the external stalling force and the internal tension responsible for the head-head coordination. The comparison between the thermodynamic cycle of kinesin and macroscopic heat engines highlights the importance of structural change as the source of work production in biomolecular machines.