基于遗传算法预测2D三向的蛋白质结构

Prediction of 2D three-direction protein structure based on genetic algorithm

本文基于范德华力势能预测2D三向的蛋白质结构。首先,将蛋白质结构预测这一生物问题转化为数学问题,并建立基于范德华力势能函数的数学模型。其次,使用遗传算法对数学模型进行求解,为了提高蛋白质结构预测效率,我们在标准遗传算法的基础上引入了调整算子这一概念,改进了遗传算法。最后,进行数值模拟实验。实验的结果表明范德华力势能函数模型是可行的,同时,和规范遗传算法相比,改进后的遗传算法能够较大幅度提高算法的搜索效率,并且遗传算法在蛋白质结构预测问题上有巨大潜力。

Based on the Van der Waals interactions force, a 2D three-direction protein structure from the amino acid sequence was predicted in this paper. First, the biological problem of protein prediction was transformed into a mathematical problem, and a mathematical model based on the Van der Waals potential energy function was established. Second, the genetic algorithm was used to solve this model. In order to improve the prediction efficiency of protein structure, we introduced the concept of adjustment operator based on the standard genetic algorithm and improved the genetic algorithm. Finally, a numerical simulation experiment was performed. The experimental results show that the Van der Waals potential energy function model is feasible. Meanwhile, compared with the canonical genetic algorithm, the improved genetic algorithm can greatly improve the search efficiency of the algorithm, and the genetic algorithm has great potential in protein structure prediction.