基于改进的模拟退火算法的蛋白质折叠研究

ON PROTEIN FOLDING BASED ON IMPROVED SIMULATED ANNEALING ALGORITHM

采用改进的模拟退火算法,搜索出最小自由能的蛋白质的三维结构,并根据组成该蛋白质的每个氨基酸的空间位置和属性,利用Java3D技术对其结构进行仿真。计算结果证明,该方法能在较短的时间内根据蛋白质的二级结构预测出其最小自由能的蛋白质的三维结构,其效率优于目前经常采用的遗传算法和模拟退火算法。

The protein three-dimensional structure which have the least free energy, were detected using the improved simulated annealing algorithm,and the structure were simulated using Java3D technology according to the spatial location and the property of each amino acid which constitutes the protein. The computation results indicate that the improved simulated annealing algorithm is much more efficient than commonly-used approaches,such as the genetic algorithm and the simulated annealing algorithm, for it can forecast the protein three-dimensional structure according to protein＇s two-degree structure in very, short time.