Title
Fast de novo peptide sequencing and spectral alignment via tree decomposition.
Abstract
De novo sequencing and spectral alignment are computationally important for the prediction of new protein peptides via tandem mass spectrometry (MS/MS). Both approaches are established upon the problem of finding the longest antisymmetric path on formulated graphs. The problem is of high computational complexity and the prediction accuracy is compromised when given spectra involve noisy data, missing mass peaks, or post translational modifications (PTMs) and mutations. This paper introduces a graphical mechanism to describe relationships among mass peaks that, through graph tree decomposition, yields linear and quadratic time algorithms for optimal de novo sequencing and spectral alignment respectively. Our test results show that, in addition to high efficiency, the new algorithms can achieve desired prediction accuracy on spectra containing noisy peaks and PTMs while allowing the presence of both b-ions and y-ions.
Year
Venue
Keywords
2006
Pacific Symposium on Biocomputing
tree decomposition
Field
DocType
ISSN
Sequence alignment,Biology,Tree decomposition,Tandem mass spectrometry,Antisymmetric relation,De novo peptide sequencing,Spectral line,Bioinformatics,Time complexity,Computational complexity theory
Conference
2335-6936
Citations 
PageRank 
References 
12
1.07
1
Authors
5
Name
Order
Citations
PageRank
Chun-Mei Liu124541.30
Ying-Lei Song214019.21
Bo Yan3497.88
Ying Xu452861.00
Li-Ming Cai550848.87