DocumentCode
2370222
Title
An efficient geometric build-up algorithm, for protein structure determination with, sparse exact distance data
Author
Davis, Robert T. ; Ernst, Claus ; Wu, Di
Author_Institution
Dept. of Math. & Comput. Sci., Western Kentucky Univ., Bowling Green, KY, USA
fYear
2009
fDate
1-4 Nov. 2009
Firstpage
173
Lastpage
180
Abstract
The paper introduces an efficient algorithm to build up a protein structure from atomic distance data. An updated geometric build-up algorithm (UGB) has been developed recently that controls numerical errors and is efficient in protein structure determination for cases where only sparse exact distance data is available. In this paper, this algorithm is improved and provides a more effective way of determining a protein structure with sparse exact distance data. We will show that the numerical errors produced by the new algorithm are smaller when compared with the errors of the UGB algorithm and that the new algorithm has a significantly smaller runtime than the UGB algorithm.
Keywords
molecular biophysics; proteins; atomic distance data; protein structure determination; sparse exact distance data; updated geometric build-up algorithm; Amino acids; Bioinformatics; Bonding; Computer science; Geometry; Iterative algorithms; Mathematics; Nuclear magnetic resonance; Proteins; Upper bound;
fLanguage
English
Publisher
ieee
Conference_Titel
Bioinformatics and Biomedicine Workshop, 2009. BIBMW 2009. IEEE International Conference on
Conference_Location
Washington, DC
Print_ISBN
978-1-4244-5121-0
Type
conf
DOI
10.1109/BIBMW.2009.5332122
Filename
5332122
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