【摘要】 讨论了作为后基因组时代的重大课题的蛋白质结构预测的简单分类和基于能量预测方法的难点,系统论述了在进行蛋白质结构预测中的一种模型即联合残基力场的形式和参数的确定方法以及相关项的作用,讨论了在力场中势能函数全局能量最优化方法即构象空间退火算法的基本原理,分析了利用联合残基力场和构象空间退火算法预测蛋白质结构的例子,预测了对联合残基力场模型今后的研究方向和预期研究结果更多还原

【Abstract】 Protein structure prediction is a formidable task of postgenomic era, which directly influences the degree to which people recognize and control the life phenomena.A protein structure prediction model named UNRES and an energy minimization method named CSA are summarized in a systematic way. Using the models,the forms and parameters of protein can be determined and interaction of correlated items of the protein can be estimated.At the same time the principal of conformational space annealing that is used to minimize the potential energy is discussed.The successful results of two examples of protein structure prediction show the prediction power of the discussed method.At last the latest development of UNRES is introduced briefly.更多还原