月明舀
1绪论
1.1蛋白质结构与功能研究的背景·············································……1
1.1.1人类基因组计划····················································……”””‘1
1.1.2生物信息学································································……‘·2
1.2蛋白质结构与功能预测的意义························……i..············……3
1.3本文的主要工作······················································……’‘”’‘”’5
2蛋白质结构与功能预测的若干基本知识
2.1蛋白质的生物学功能··················································，······……7
2.2蛋白质的结构层次···························································……‘8
2.3维持蛋白质构象的化学键············································，······……n
2.4蛋白质序列与结构数据库···················································……12
3蛋白质结构预测
3.1蛋白质结构预测的一般流程”·········……，’’····························……14
3.2同源模建方法·························································……““‘·‘”巧
3.3折叠识别方法······································~······················……’‘·’16
3.4从头预测方法··································································……17
3.4.1蛋白质结构预测模型······················································……17
3.4.2全局优化方法·······························································……飞9
3.5CASP简介········································································……19
4蛋白质结构预测的优化模型
4.1蛋白质结构预测模型概述···················································……20
4.2联合残基力场模型···················································……”“”‘”21
4.3蛋白质结构预测的九个优化模型··········································……23
5模拟退火算法的改进及其在蛋白质结构预测中的应用
5.1模拟退火算法·······························································……”·28
5.2改进的模拟退火算法·························································……30
5.3数值试验·····················································，··················……32
5.4改进的模拟退火算法在蛋白质结构预测上的应用·····················……34
5.4.1在Lennard--Jones簇问题上的应用····································……34
5.4.2蛋白质结构预测及结果分析·············································……39
5.5对本文算法的讨论····························································……40
5.6改进的模拟退火算法的收敛性分析··································，，·，·……41
6蛋白质功能研究
6.1基于序列的蛋白质功能预测················································……45
6.1.1基于两序列相似性分析的蛋白质功能预测···························……45
6.1.2基于多序列迭代的的蛋白质功能预测·································……46
6.1.2.1中介序列检索····························································……46
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1.2.2序列谱检索方法·························································……47
6.2非同源方法预测蛋白质功能················································……47
6.2.1功能域融合方法··················································……”‘”‘’.’‘48
6.2.2系统进化谱分析方法·······················································一48
6.2.3表达簇分析方法····························································……49
6.3基于结构分析的蛋白质功能预测·············..···························……49
6.4综合的功能预测方法·························································……50
参考文献···········································································……51
附录
致谢
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