EnzDP: improved enzyme annotation for metabolic network reconstruction based on domain composition profiles.

Determining the entire complement of enzymes and their enzymatic functions is a fundamental step for reconstructing the metabolic network of cells. High quality enzyme annotation helps in enhancing metabolic networks reconstructed from the genome, especially by reducing gaps and increasing the enzyme coverage. Currently, structure-based and network-based approaches can only cover a limited number of enzyme families, and the accuracy of homology-based approaches can be further improved.

Homologous synteny block detection based on suffix tree algorithms.

A synteny block represents a set of contiguous genes located within the same chromosome and well conserved among various species. Through long evolutionary processes and genome rearrangement events, large numbers of synteny blocks remain highly conserved across multiple species. Understanding distribution of conserved gene blocks facilitates evolutionary biologists to trace the diversity of life, and it also plays an important role for orthologous gene detection and gene annotation in the genomic era.

Tutorial on de novo peptide sequencing using MS/MS mass spectrometry.

This paper is a self-contained introductory tutorial on the problem in proteomics known as peptide sequencing using tandem mass spectrometry. This tutorial deals specifically with de novo sequencing methods (as opposed to database search methods). We first give an introduction to peptide sequencing, its importance and history and some background on proteins.

A Merge-Decoupling Dead End Elimination algorithm for protein side-chain conformation.

Dead End Elimination (DEE) is a technique for eliminating rotamers that can not exist in any global minimum energy configuration for the protein side chain conformation problem. A popular method is Simple Goldstein DEE (SG-DEE) which is fast and eliminates rotamers by considering single residues for possible elimination. We present a Merge-Decoupling DEE (MD-DEE) that further reduces the number of rotamers after SG-DEE.

Modeling and characterization of multi-charge mass spectra for peptide sequencing.

Peptide sequencing using tandem mass spectrometry data is an important and challenging problem in proteomics. We address the problem of peptide sequencing for multi-charge spectra. Most peptide sequencing algorithms currently consider only charge one or two ions even for higher-charge spectra.