Non-metric similarity search of tandem mass spectra including posttranslational modifications

  • Authors:
  • Jiří Novák;Tomáš Skopal;David Hoksza;Jakub Lokoč

  • Affiliations:
  • SIRET Research Group, Department of Software Engineering, Faculty of Mathematics and Physics, Charles University in Prague, Malostranské nám. 25, 118 00 Prague, Czech Republic;SIRET Research Group, Department of Software Engineering, Faculty of Mathematics and Physics, Charles University in Prague, Malostranské nám. 25, 118 00 Prague, Czech Republic;SIRET Research Group, Department of Software Engineering, Faculty of Mathematics and Physics, Charles University in Prague, Malostranské nám. 25, 118 00 Prague, Czech Republic;SIRET Research Group, Department of Software Engineering, Faculty of Mathematics and Physics, Charles University in Prague, Malostranské nám. 25, 118 00 Prague, Czech Republic

  • Venue:
  • Journal of Discrete Algorithms
  • Year:
  • 2012

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Abstract

In biological applications, the tandem mass spectrometry is a widely used method for determining protein and peptide sequences from an ''in vitro'' sample. The sequences are not determined directly, but they must be interpreted from the mass spectra, which is the output of the mass spectrometer. This work is focused on a similarity-search approach to mass spectra interpretation, where the parameterized Hausdorff distance (d"H"P) is used as the similarity. In order to provide an efficient similarity search under d"H"P, the metric access methods and the TriGen algorithm (controlling the metricity of d"H"P) are employed. Moreover, the search model based on the d"H"P supports posttranslational modifications (PTMs) in the query mass spectra, what is typically a problem when an indexing approach is used. Our approach can be utilized as a coarse filter by any other database approach for mass spectra interpretation.