Abstract: A new algorithm?DNA computing is introduced into protein structure predication. A DNA computing method of comparative model of protein structure is proposed when the similarity is lowbetween the protein structure andthe templates. Each possible conformation of residue represents a strand of DNA sequence. In this way, a problem of protein prediction is transformed into an edge-weighted MWCP(maximal weight clique problem). A DNA algorithmis proposed using the DNA computing model of MWCP. The efficiency is proved by simulation result.

Key words: DNA computing, MWCP, edge weighted, protein prediction

摘要： 将一种新的智能计算方法??DNA计算引入到蛋白质结构预测中, 试图建立当蛋白质结构与母板结构相似度比较低的情况下的蛋白质结构比较模型的DNA计算方法。将氨基酸序列中的一个残基的可能构型映射为一段DNA序列, 将一个蛋白质结构预测问题转化成一个边赋权的图的最大权团问题, 结合最大权团问题的DNA计算模型, 建立蛋白质预测问题的DNA算法, 并通过仿真实验说明了算法的有效性。

关键词: DNA计算, 最大权团, 边赋权, 蛋白质结构预测