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INVESTIGATION OF ALGORITHMS FOR ANALYZING PROTEIN INTERNAL MOTION FROM VIEWPOINT OF ROBOT KINEMATICS

机译:从机器人运动学角度分析蛋白质内部运动的算法研​​究

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摘要

We investigate various algorithms for analyzing the characteristics of the internal motion of proteins based on the analogies between their kinematic structures and robotic mechanisms. First, we introduce an artificial simple protein model, planar main chain (PMC), composed of a planar serial link mechanism to investigate the algorithms. Then, we develop algorithms for analyzing the conformational fluctuations by applying the ma-nipulability analysis of robot manipulators and control strategies for redundant manipulators. Next, we develop algorithms for analyzing the conformational deformation caused by the external forces and to evaluate the compliances of the specified parts of proteins. Finally, we show that the proposed algorithms developed by using PMC models are applicable for the three dimensional main chain structures of real proteins, and may be used to analyze their characteristics of the internal motion. We also reveal some preliminary simulation results of the analysis of a real protein.
机译:我们基于其运动学结构和机器人机制之间的类比,研究了用于分析蛋白质内部运动特征的各种算法。首先,我们介绍了一个人工的简单蛋白质模型,即平面主链(PMC),该模型由平面串行链接机制组成,用于研究算法。然后,我们通过应用机械手的机械可操纵性分析和冗余机械手的控制策略,开发了用于分析构象波动的算法。接下来,我们开发用于分析由外力引起的构象变形并评估蛋白质指定部位的顺应性的算法。最后,我们证明了使用PMC模型开发的算法适用于真实蛋白质的三维主链结构,并可用于分析其内部运动的特征。我们还揭示了一些真实蛋白质分析的初步模拟结果。

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