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Using motion planning to study RNA folding kinetics

机译:使用运动计划研究RNA折叠动力学

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摘要

We propose a novel, motion planning based approach to approximately map the energy landscape of an RNA molecule. Our method is based on the successful probabilistic roadmap motion planners that we have previously successfully applied to protein folding. The key advantage of our method is that it provides a sparse map that captures the main features of the landscape and which can be analyzed to compute folding kinetics. In this paper, we provide evidence that this approach is also well suited to RNA. We compute population kinetics and transition rates on our roadmaps using the master equation for a few moderately sized RNA and show that our results compare favorably with results of other existing methods.
机译:我们提出了一种新颖的基于运动计划的方法来大致绘制RNA分子的能量分布图。我们的方法基于成功的概率路线图运动规划器,这些规划器我们先前已成功应用于蛋白质折叠。我们方法的主要优点是它提供了一个稀疏的地图,可以捕获景观的主要特征,并且可以对其进行分析以计算折叠动力学。在本文中,我们提供了证据,证明这种方法也非常适合RNA。我们使用一些中等大小的RNA的主方程在路线图上计算种群动力学和跃迁速率,结果表明我们的结果与其他现有方法的结果相比具有优势。

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