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禁忌搜索算法是一种启发式的全局优化算法,是局部搜索算法的一种推广,已被成功地应用于许多组合优化问题,本文探讨将一种记忆的禁忌搜索算法应用于求解蛋白质结构预测问题。文中首先介绍了一种二维HP非格模型,此模型最后可以归结为一个全局优化问题,然后介绍了记忆的禁忌搜索算法在其中的应用,通过与PERM(Pruned-Enriched-Rosenbluth Method) 比较,发现禁忌算法能得到较好的实验结果,经分析发现虽然二维HP非格模型很简单,但却能反映蛋白质结构的一些简单的性质,即在蛋白质结构中,疏水性氨基酸形成束,总是被极性氨基酸包围。数值实验表明该算法对于蛋白质结构预测是可行有效的。
Taboo search algorithm is a heuristic global optimization algorithm, which is a generalization of local search algorithm and has been successfully applied to many combinatorial optimization problems. This paper discusses a memory taboo search algorithm applied to the solution of protein structure prediction problem . Firstly, a two-dimensional non-lattice model of HP is introduced. At last, the model can be attributed to a global optimization problem, and then the application of tabu search in memory is introduced. By comparing with PERM (Pruned-Enriched-Rosenbluth Method) It is found that the tabu algorithm can get better experimental results. The analysis shows that although the two-dimensional HP non-lattice model is very simple, it can reflect some simple properties of the protein structure, that is, in the protein structure, hydrophobic amino acids form bundles and always Surrounded by polar amino acids. Numerical experiments show that this algorithm is feasible and effective for protein structure prediction.