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3D Protein structure prediction with genetic tabu search algorithm

机译:基于遗传禁忌搜索算法的3D蛋白质结构预测

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摘要

BackgroundProtein structure prediction (PSP) has important applications in different fields, such as drug design, disease prediction, and so on. In protein structure prediction, there are two important issues. The first one is the design of the structure model and the second one is the design of the optimization technology. Because of the complexity of the realistic protein structure, the structure model adopted in this paper is a simplified model, which is called off-lattice AB model. After the structure model is assumed, optimization technology is needed for searching the best conformation of a protein sequence based on the assumed structure model. However, PSP is an NP-hard problem even if the simplest model is assumed. Thus, many algorithms have been developed to solve the global optimization problem. In this paper, a hybrid algorithm, which combines genetic algorithm (GA) and tabu search (TS) algorithm, is developed to complete this task.
机译:背景蛋白结构预测(PSP)在不同领域具有重要应用,例如药物设计,疾病预测等。在蛋白质结构预测中,存在两个重要问题。第一个是结构模型的设计,第二个是优化技术的设计。由于实际蛋白质结构的复杂性,本文采用的结构模型是简化模型,称为离格AB模型。在假定结构模型之后,需要基于假定的结构模型的优化技术来搜索蛋白质序列的最佳构象。但是,即使采用最简单的模型,PSP也是一个NP难题。因此,已经开发了许多算法来解决全局优化问题。本文提出了一种混合算法,该算法结合了遗传算法(GA)和禁忌搜索(TS)算法,以完成此任务。

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