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DOI:
Journal of Software:2006.17(zk):120-125

基于三维数据场拓扑抽取的蛋白质结构分析
张涛,陈为,谢利广,胡敏,彭群生
(浙江大学 CAD&CG 国家重点实验室,浙江 杭州 310027)
Molecular Structural Analysis Based on the Topological Extraction of 3D Scalar Fields
ZHANG Tao,CHEN Wei XIE,Li-Guang,HU Min,PENG Qun-Sheng
()
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Received:March 15, 2006    Revised:September 11, 2006
> 中文摘要: 介绍了抽取蛋白质分子三维数据场的局部特征,并组织数据场的整体拓扑的初步工作.基于拓扑分析的方法,计算出数据场的局部特征点,这些特征点潜在地揭示了蛋白质的活性位点.在此基础上,利用这些局部特征点构造出表示数据场的几何拓扑结构.将实验结果与实际的蛋白质数据比较,验证了方法的可行性.
中文关键词: 三维数据场  奇点  轮廓  轮廓树  Morse 函数
Abstract:In this paper, efforts on extracting local features and building the global topology of 3D macromolecular scalar field are introduced.Base on the topological analysis,the critical points which potentially indicate the active regions are calculated.This technique is employed to construct the topolog ical and geometrical structures of the scalar field.The preliminary experiments with the protein data sets verify the feasibility of the method.
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基金项目:Supported by the the National Natural Science Foundation of China under Grant Nos.60533050,60503056,60021201 (国家自然科学基金) Supported by the the National Natural Science Foundation of China under Grant Nos.60533050,60503056,60021201 (国家自然科学基金)
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张 涛,陈 为,谢利广,胡 敏,彭群生.基于三维数据场拓扑抽取的蛋白质结构分析.软件学报,2006,17(zk):120-125

ZHANG Tao,CHEN Wei XIE,Li-Guang,HU Min,PENG Qun-Sheng.Molecular Structural Analysis Based on the Topological Extraction of 3D Scalar Fields.Journal of Software,2006,17(zk):120-125