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。
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 mathematical expressions of the model. In all test cases, we find a very efficient algorithm of calculating the protein structure by studying the physical model 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.
出处
《计算机工程与科学》
CSCD
2007年第4期68-71,共4页
Computer Engineering & Science
基金
国家973计划资助项目(1998030600)
关键词
蛋白质结构预测
折叠
引力势能
局部最小能量
protein structure forecast
fold
gravitation potential energy
local least energy
