Molecular Biology and Genetics / Moleküler Biyoloji ve Genetik

Permanent URI for this collectionhttps://hdl.handle.net/11147/9

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Subject: search.filters.subject.Mass spectrometryWoS Q: search.filters.wosQuartile.N/A

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  • Letter
    Citation - Scopus: 9
    A Call for Benchmark Data in Mass Spectrometry-Based Proteomics
    (Proteomass Scientific Society, 2012) Allmer, Jens
    Proteomics is a quickly developing field. New and better mass spectrometers, the platform of choice in proteomics, are being introduced frequently. New algorithms for the analysis of mass spectrometric data and assignment of amino acid sequence to tandem mass spectra are also presented on a frequent basis. Unfortunately, the best application area for these algorithms cannot be established at the moment. Furthermore, even the accuracy of the algorithms and their relative performance cannot be established. This is due to the lack of proper benchmark data. This letter first introduces the field of mass spectrometry-based proteomics and then defines the expectations of a well-designed benchmark dataset. Thereafter, the current situation is compared to this ideal. A call for the creation of a proper benchmark dataset is then placed and it is explained how measurement should be performed. Finally, the benefits for the research community are highlighted. © 2012, Proteomass Scientific Society. All rights reserved.
  • Conference Object
    Citation - Scopus: 1
    Ranking Tandem Mass Spectra: and the Impact of Database Size and Scoring Function on Peptide Spectrum Matches
    (Institute of Electrical and Electronics Engineers Inc., 2013) Has, Canan; Kundakçı, Cemal Ulaş; Altay, Aybuge; Allmer, Jens
    Proteomics is currently driven by mass spectrometry. For the analysis of tandem mass spectra many computational algorithms have been proposed. There are two approaches, one which assigns a peptide sequence to a tandem mass spectrum directly and one which employs a sequence database for looking up possible solutions. The former method needs high quality spectra while the latter can tolerate lower quality spectra. Since both methods are computationally expensive, it is sensible to establish spectral quality using an independent fast algorithm. In this study, we first establish proper settings for database search algorithms for the analysis of spectra in our gold benchmark dataset and then analyze the performance of ScanRanker, an algorithm for quality assessment of tandem MS spectra, on this ground truth data. We found that OMSSA and MSGFDB have limitations in their scoring functions but were able to form a proper consensus prediction using majority vote for our benchmark data. Unfortunately, ScanRanker's results do not correlate well with the consensus and ScanRanker is also too slow to be used in the capacity it is supposed to be used. © 2013 IEEE
  • Conference Object
    Relative Protein Quantitation With Post Translational Modifications in Mass Spectrometry Based Proteomics
    (Institute of Electrical and Electronics Engineers Inc., 2010) Allmer, Jens
    Mass spectrometry has become the tool of choice for most investigations in proteomics. Identification of proteins from complex mixtures has long been achieved and is now routinely used in countless high throughput studies. Quantitation by mass spectrometry is comparably newer and many different strategies have been proposed. One such strategy quantitates the difference in protein expression level among samples via extracted ion chromatograms, or spectral counts or a combination thereof. Another strategy involves mass modifications of the analytes in one or more of the samples under investigation. MSMAG has been developed as an extension to 2DB and it has been shown that it can aid in quantitation of data from experiments employing label-free quantitation. Recently, it has been extended to allow for analysis of data based on labelling strategies. This also makes it possible to quickly visualize and investigate inherent mass differences as presented by post translational modifications. ©2009 IEEE.