Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction

doi:10.1007/s11390-008-9184-1

CSpace

	Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction
	Bajaj, Chandrajit L.1; Xu, Guo-Liang 2; Zhang, Qin 2,3
	2008-11-01
发表期刊	JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY
ISSN	1000-9000
卷号	23 期号:6 页码:1026-1036
摘要	We present a general framework for a higher-order spline level-set (HLS) method and apply this to biomolecule surfaces construction. Starting from a first order energy functional, we obtain a general level set formulation of geometric partial differential equation, and provide an efficient approach to solving this partial differential equation using a C2 spline basis. We also present a fast cubic spline interpolation algorithm based on convolution and the Z-transform, which exploits the local relationship of interpolatory cubic spline coefficients with respect to given function data values. One example of our HLS method is demonstrated, which is the construction of biomolecule surfaces (an implicit solvation interface) with their individual atomic coordinates and solvated radii as prerequisites.
关键词	higher-order spline level-set geometric partial differential equation biomolecular surface
DOI	10.1007/s11390-008-9184-1
语种	英语
资助项目	NSF of USA[CNS-0540033] ; NIH[P20-RR020647] ; NIH[R01-EB00487] ; NIH[R01-GM074258] ; NIH[R01-GM07308] ; National Natural Science Foundation of China[60773165] ; National Basic Research 973 Program of China[2004CB318000] ; Beijing Educational Commitee Foundation[KM200811232009]
WOS研究方向	Computer Science
WOS类目	Computer Science, Hardware & Architecture ; Computer Science, Software Engineering
WOS记录号	WOS:000261179300012
出版者	SCIENCE PRESS
引用统计
文献类型	期刊论文
条目标识符	http://ir.amss.ac.cn/handle/2S8OKBNM/6358
专题	中国科学院数学与系统科学研究院
通讯作者	Bajaj, Chandrajit L.
作者单位	1.Univ Texas Austin, Dept Comp Sci, Inst Computat Engn & Sci, CVC, Austin, TX 78712 USA 2.Chinese Acad Sci, Acad Math & Syst Sci, Inst Computat Math, LSEC, Beijing 100190, Peoples R China 3.Beijing Informat Sci & Technol Univ, Sch Sci, Beijing 100192, Peoples R China
推荐引用方式 GB/T 7714	Bajaj, Chandrajit L.,Xu, Guo-Liang,Zhang, Qin. Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction[J]. JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY,2008,23(6):1026-1036.
APA	Bajaj, Chandrajit L.,Xu, Guo-Liang,&Zhang, Qin.(2008).Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction.JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY,23(6),1026-1036.
MLA	Bajaj, Chandrajit L.,et al."Higher-Order Level-Set Method and Its Application in Biomolecular Surfaces Construction".JOURNAL OF COMPUTER SCIENCE AND TECHNOLOGY 23.6(2008):1026-1036.