Enveloping Triangulation Method for Detecting Internal Cavities in Proteins and Algorithm for Computing Their Surface Areas and Volumes

NCU Institutional Repository > 研究中心 > 數據分析方法研究中心 > 期刊論文 > Item 987654321/27713

jsp.display-item.identifier=請使用永久網址來引用或連結此文件: http://ir.lib.ncu.edu.tw/handle/987654321/27713

题名:	Enveloping Triangulation Method for Detecting Internal Cavities in Proteins and Algorithm for Computing Their Surface Areas and Volumes
作者:	Busa,J;Hayryan,S;Hu,CK;Skrivanek,J;Wu,MC
贡献者:	數據分析方法研究中心
关键词:	ANALYTICAL MOLECULAR-SURFACE;METMYOGLOBIN-XENON COMPLEX;VAN-DER-WAALS;OVERLAPPING SPHERES;GLOBULAR-PROTEINS;EXCLUDED-VOLUME;BURIED WATERS;SOLVENT;PACKAGE;MACROMOLECULES
日期:	2009
上传时间:	2010-06-29 19:12:26 (UTC+8)
出版者:	中央大學
摘要:	Detection and quantitative characterization of the internal cavities in proteins remain an important topic in studying protein structure and function. Here we propose a new analytical method for detecting the existence of cavities in proteins. The method is based on constructing the special enveloping triangulation enclosing the cavities. Based on this method, we develop an algorithm and a fortran package. CAVE, for computing volumes and surface areas of cavities in proteins. We first test our method and algorithm in sonic artificial systems of spheres and find that the Calculated results are consistent with exact results. Then we apply the package to Compute volumes and surface areas of cavities for some protein structures in the Protein Data Bank. We compare our calculated results with those obtained by some other methods and find that Our approach is reliable. (C) 2008 Wiley Periodicals, Inc.
關聯:	JOURNAL OF COMPUTATIONAL CHEMISTRY
显示于类别:	[數據分析方法研究中心 ] 期刊論文

文件中的档案:

档案	描述	大小	格式	浏览次数
index.html		0Kb	HTML	829	检视/开启

在NCUIR中所有的数据项都受到原著作权保护.

社群 sharing