• 中国计算机学会会刊
  • 中国科技核心期刊
  • 中文核心期刊

J4 ›› 2007, Vol. 29 ›› Issue (4): 68-71.

• 论文 • 上一篇    下一篇

蛋白质三维连续模型结构预测的高效算法

陈克宾 黄文奇   

  • 出版日期:2007-04-01 发布日期:2010-05-30

  • Online:2007-04-01 Published:2010-05-30

摘要:

为了解生物学上蛋白质的空间构成情况,通过对生物学上蛋白质实际空间组成结构的分析,本文提出了一种抽象的蛋白质三维结构连续数学模型与之对应,应用拟物的方法找到了对应于此数学模型的物理模型,并且用数学方法客观、精准地对该模型进行了公式表达,然后应用数学求最值的方法且结合一种优化算法对以上公式进行了有效的演算,并得 到了比较好的结果。因此,我们就找到了相应的一种求解蛋白质三维构型的高效算法,应用该算法能更快更优地得到相应蛋白质链的近似最优构型。

关键词: 蛋白质结构预测 折叠 引力势能 局部最小能量

Abstract:

In order to know the 3D space structure of the biology protein, we can grasp the mathematical model of the 3D space model of protein by analyzing the  protein chain, and afford the corresponding physical model of the mathematical model by the method named simulating nature, and give the precise mathema tical expressions of the model. In all test cases, we find a very efficient algorithm of calculating the protein structure by studying the physical mode l and figuring the mathematical expressions by using the algorithm for calculating the right results, and a kind of optimizing method. By using the algo - rithm, we can rapidly and efficiently find the result close to the best in the global area.

Key words: protein structure forecast;fold;gravitation potential energy, local least energy