${\\rm MS2DB}+$ : A Software for Determination of Disulfide Bonds Using Multi-Ion Analysis

Author

Murad, W. ; Singh, Rajdeep

Author_Institution

Dept. of Comput. Sci., San Francisco State Univ., San Francisco, CA, USA

Volume

12

Issue

2

fYear

2013

fDate

Jun-13

Firstpage

69

Lastpage

71

Abstract

MS2DB+ is an open-source platform-independent web application for determining, in polynomial time, the disulfide linkages in proteins using tandem mass spectrometry (MS/MS) data. It utilizes an efficient approximation algorithm which allows the consideration of multiple ion-types ( a, a_o, a*, b, b_o, b*, c, x, y, y_o, y*, and z ) in the analysis. Once putative disulfide bonds are identified, a graph optimization approach is used to obtain the most likely global disulfide connectivity pattern. Availability-http://haddock2.sfsu.edu/~ms2db/disulfidebond/.

Keywords

Internet; approximation theory; bonds (chemical); computational complexity; graph theory; mass spectroscopy; materials science computing; optimisation; proteins; public domain software; sulphur; MS/MS data; MS2DB+; S₂; approximation algorithm; disulfide bond determination software; disulfide linkages; global disulfide connectivity pattern; graph optimization approach; multiion analysis; open-source platform-independent Web application; polynomial time; proteins; putative disulfide bonds; tandem mass spectrometry; Algorithm design and analysis; Approximation algorithms; Approximation methods; Ions; Optimization; Peptides; Proteins; Bioinformatics; disulfide bond; mass spectrometry; peptides; proteomics; Algorithms; Disulfides; Ions; Proteins; Software; Tandem Mass Spectrometry;

fLanguage

English

Journal_Title

NanoBioscience, IEEE Transactions on

Publisher

ieee

ISSN

1536-1241

Type

jour

DOI

10.1109/TNB.2012.2212029

Filename

6335483