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Découverte de modifications chimiques portées par les protéines : identification rapide de jeux de spectres de masse sans filtre de masse

Abstract : Proteins fulfill numerous functions mandatory to the growth and the survival of living organisms. The study of those proteins is paramount in order to understand biological mechanisms inside the cells. The most widely used technique to characterize proteins is tandem mass spectrometry, which produces tens of thousands of experimental mass spectra per analysis. To interpret those spectra -which leads to finding and characterizing the proteins from the analyzed mixture- the most common methodology consists in comparing them to a data-base that can contain hundreds of thousands of "model" spectra. To speed up the analysis, the majority of the approaches reduce the number of comparisons, a limitation supposed to be the cause of identification difficulties. Indeed, the output of a mass spectrometry analysis nowadays still exhibit 50 to 75% of unidentified spectra. In order to solve this problem, we conceived a method to interpret mass spectra without filtering the database. This method relies on a specific datastructure, SpecTrees, which allows a compact representation of the number of shared masses between each pair of spectra, alongside algorithms manipulating efficiently the information contained in this datastructure. Altogether, the datastructure and algorithms compose SpecOMS, a software available to the community. We discuss the use of different parameters for our method and compare it to another efficient algorithm.
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https://hal.archives-ouvertes.fr/tel-02505167
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Submitted on : Wednesday, March 11, 2020 - 11:56:22 AM
Last modification on : Sunday, March 15, 2020 - 1:01:51 AM

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  • HAL Id : tel-02505167, version 1

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Matthieu David. Découverte de modifications chimiques portées par les protéines : identification rapide de jeux de spectres de masse sans filtre de masse. Bio-informatique [q-bio.QM]. Université Bretagne-Loire, 2019. Français. ⟨tel-02505167⟩

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