驱动蛋白的三维布朗动力学模型描述螺旋形货物系绳的力-延伸曲线
A Brownian Dynamics Model of Kinesin in Three Dimensions Incorporating the Force-Extension Profile of the Coiled-Coil Cargo Tether
摘要：
驱动蛋白家族的马达蛋白参与多种细胞过程，运输物质和产生力。随着实验技术的最新进展，例如可以探测单个分子的光镊，人们越来越感兴趣地了解马达蛋白将化学能转化为机械功的机制。在这里，我们提出了一个数学模型的化学和三维力学的驱动蛋白马达蛋白，它捕获了许多力依赖的功能的电机。对于将货物附着到马达的系绳的弹性，我们开发了一种方法，用于从光阱数据导出非线性力-延伸关系。对于驱动蛋白头，货物，和显微镜阶段，我们制定了一个三维布朗动力学模型，考虑到排除体积相互作用。为了有效地计算统计数据的模型的算法，提出了使用两步协议，该协议分离的模型的化学动力学的模型的机械特征的模拟。利用该方法计算了马达输送的小球的力相关平均速度和随机参数，并与实验数据进行了比较。
英文摘要：
The Kinesin family of motor proteins are involved in a variety of cellular processes that transport materials and generate force. With recent advances in experimental techniques, such as optical tweezers which can probe individual molecules, there has been an increasing interest in understanding the mechanisms by which motor proteins convert chemical energy into mechanical work. Here we present a mathematical model for the chemistry and three dimensional mechanics of the Kinesin motor protein which captures many of the force dependent features of the motor. For the elasticity of the tether that attaches cargo to the motor we develop a method for deriving the non-linear force-extension relationship from optical trap data. For the Kinesin heads, cargo, and microscope stage we formulate a three dimensional Brownian Dynamics model that takes into account excluded volume interactions. To efficiently compute statistics from the model an algorithm is proposed that uses a two step protocol that separates the simulation of the mechanical features of the model from the chemical kinetics of the model. Using this approach for a bead transported by the motor, the force dependent average velocity and randomness parameter are computed and compared with the experimental data.
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