Abstract
There are a number of computational tools for assigning identifications to peptide tandem mass spectra, but many fewer tools for the crucial next step of integrating spectral identifications into higher-level identifications, such as proteins or modification sites. Here we describe a new program called ComByne for scoring and ranking higher-level identifications. We compare ComByne to existing algorithms on several complex biological samples, including a sample of mouse blood plasma spiked with known concentrations of human proteins. A Web interface to our software is at http://bio.parc.xerox.com .
Access this chapter
Tax calculation will be finalised at checkout
Purchases are for personal use only
Preview
Unable to display preview. Download preview PDF.
References
Adkins, J.N., Varnum, S.M., Auberry, K.J., Moore, R.J., Angell, N.H., Smith, R.D., Springer, D.L., Pounds, J.G.: Toward a human blood serum proteome: analysis by multidimensional separation coupled with mass spectrometry. Molecular and Cellular Proteomics 1, 947–955 (2002)
Anderson, N.L., Polanski, M., Pieper, R., Gatlin, T., Tirumalai, R.S., Conrads, T.P., Veenstra, T.D., Adkins, J.N., Pounds, J.G., Fagan, R., Lobley, A.: The human plasma proteome. Molecular and Cellular Proteomics 3, 311–326 (2004)
Bandeira, N., Tsur, D., Frank, A., Pevzner, P.: A new approach to protein identification. In: Apostolico, A., Guerra, C., Istrail, S., Pevzner, P., Waterman, M. (eds.) RECOMB 2006. LNCS (LNBI), vol. 3909, pp. 363–378. Springer, Heidelberg (2006)
Bern, M., Goldberg, D.: EigenMS: De novo analysis of peptide tandem mass spectra by spectral graph partitioning. J. Comp. Biology 13, 364–378 (2006)
Bern, M., Cai, Y., Goldberg, D.: Lookup peaks: a hybrid of de novo sequencing and database search for protein identification by tandem mass spectrometry. Anal. Chem. 79 (2007)
Beausoleil, S.A., Villén, J., Gerber, S.A., Rush, J., Gygi, S.P.: A probability-based approach for high-throughput protein phosphorylation analysis and site localization. Nature Biotechnology 24 (2006)
Coombes, K.R., Morris, J.S., Hu, J., Edmonson, S.R., Baggerly, K.A.: Serum proteomics profiling—a young technology begins to mature. Nature Biotechnology 23, 291–292 (2005)
Craig, R., Beavis, R.C.: TANDEM: matching proteins with mass spectra. Bioinformatics 20, 1466–1467 (2004)
Craig, R., Beavis, R.C.: A method for reducing the time required to match protein sequences with tandem mass spectra. Rapid Commun. Mass Spectrometry 17, 2310–2316 (2003)
Creasy, D.M., Cottrell, J.S.: Error tolerant searching of uninterpreted tandem mass spectrometry data. Proteomics 2, 1426–1434 (2002)
Creasy, D.M., Cottrell, J.S.: Unimod: Protein modifications for mass spectrometry. Proteomics 4, 1534–1536 (2004)
Diella, F., Cameron, S., Gemünd, C., Linging, R., Via, A., Kuster, B., Sicheritz-Pontén, T., Blom, N., Gibson, T.J.: Phospho.ELM: A database of experimentally verified phosphorylation sites in eukaryotic proteins. BMC Bioinf. 5, 79 (2004)
Eng, J.K., McCormack, A.L., Yates III., J.R.: An approach to correlate tandem mass spectral data of peptides with amino acid sequences in a protein database. J. Am. Soc. Mass Spectrom. 5, 976–989 (1994)
Frank, A., Pevzner, P.: PepNovo: De novo peptide sequencing via probabilistic network modeling. Anal. Chem. 77, 964–973 (2005)
Geer, L.Y., Markey, S.P., Kowalak, J.A., Wagner, L., Xu, M., Maynard, D.M., Yang, X., Shi, W., Bryant, S.H.: Open mass spectrometry search algorithm. J. Proteome Research 3, 958–964 (2004)
Kapp, E.A., et al.: An evaluation, comparison, and accurate benchmarking of several publicly available MS/MS search algorithms: sensitivity and specificity analysis. Proteomics 5, 3226–3245 (2005)
Keller, A., Nesvizhskii, A.I., Kolker, E., Aebersold, R.: Empirical statistical model to estimate the accuracy of peptide identifications made by MS/MS and database search. Anal. Chem. 74, 5383–5392 (2002)
Krokhin, O.V., Craig, R., Spicer, V., Ens, W., Standing, K.G., Beavis, R.C., Wilkins, J.A.: An improved model for prediction of retention times of tryptic peptides in ion pair reversed-phase HPLC. Mol. Cell. Proteomics 3.9, 908–919 (2004)
Lu, B., Ruse, C., Xu, T., Park, S.K., Yates III., J.: Automatic validation of phosphopeptide identifications from tandem mass spectra. Anal. Chem. 79 (2007)
Ma, B., Zhang, K., Hendrie, C., Liang, C., Li, M., Doherty-Kirby, A., Lajoie, G.: PEAKS: powerful software for peptide de novo sequencing by tandem mass spectrometry. Rapid Comm. in Mass Spectrometry 17, 2337–2342 (2003)
Moore, R.E., Young, M.K., Lee, T.D.: Qscore: an algorithm for evaluating SEQUEST database search results. J. Am. Soc. Mass Spec. 13, 378–386 (2002)
Nesvizhskii, A.I., Keller, A., Kolker, E., Aebersold, R.: A statistical model for identifying proteins by tandem mass spectrometry. Anal. Chem. 75, 4646–4658 (2003)
Omenn, G.S., et al.: Overview of the HUPO plasma proteome project: results from the pilot phase with 35 collaborating laboratories and multiple analytical groups, generating a core dataset of 3020 proteins and a publicly-available database. Proteomics 5, 3226–3245 (2005)
Perkins, D.N., Pappin, D.J.C., Creasy, D.M., Cottrell, J.S.: Probability-based protein identification by searching sequence databases using mass spectrometry data. Electrophoresis 20, 3551–3567 (1999)
Resing, K.A., et al.: Improving reproducibility and sensitivity in identifying human proteins by shotgun proteomics. Anal. Chem. 76, 3556–3568 (2004)
Rifai, N., Gillette, M.A., Carr, S.A.: Protein biomarker discovery and validation: the long and uncertain path to clinical utility. Nature Biotechnology 24, 971–983 (2006)
States, D.J., Omenn, G.S., Blackwell, T.W., Fermin, D., Eng, J., Speicher, D.W., Hanash, S.M.: Challenges in deriving high-confidence protein identifications from data gathered by a HUPO plasma proteome collaborative study. Nature Biotechnology 24, 333–338 (2006)
Tabb, D.L., McDonald, W.H., Yates III., J.R.: DTASelect and Contrast: Tools for assembling and comparing protein identifications from shotgun proteomics. J. Proteome Research 1, 21–26 (2002)
Tabb, D.L., Saraf, A., Yates III., J.R.: GutenTag: High-throughput sequence tagging via an empirically derived fragmentation model. Anal. Chem. 75, 6415–6421 (2003)
Tanner, S., Shu, H., Frank, A., Wang, L-C., Zandi, E., Mumby, M., Pevzner, P.A., Bafna, V.: InsPecT: Identification of posttranslationally modified peptides from tandem mass spectra. Anal. Chem. 77, 4626–4639 (2005)
Yates III., J.R., Eng, J., McCormack, A., Schietz, D.: A method to correlate tandem mass spectra of modified peptides to amino acid sequences in a protein database. Anal. Chem. 67, 1426–1436 (1995)
Yen, C.-Y., Russell, S., Mendoza, A.M., Meyer-Arendt, K., Sun, S., Cios, K.J., Ahn, N.G., Resing, K.A.: Improving sensitivity in shotgun proteomics using a peptide-centric database with reduced complexity: protease cleavage and SCX elution rules from data mining of MS/MS spectra. Anal. Chem. 78, 1071–1084 (2006)
Zhang, W., Chait, B.T.: ProFound: an expert system for protein identification using mass spectrometric peptide mapping information. Anal. Chem. 72, 2482–2489 (2000)
Author information
Authors and Affiliations
Editor information
Rights and permissions
Copyright information
© 2007 Springer Berlin Heidelberg
About this paper
Cite this paper
Bern, M., Goldberg, D. (2007). Improved Ranking Functions for Protein and Modification-Site Identifications. In: Speed, T., Huang, H. (eds) Research in Computational Molecular Biology. RECOMB 2007. Lecture Notes in Computer Science(), vol 4453. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-71681-5_31
Download citation
DOI: https://doi.org/10.1007/978-3-540-71681-5_31
Publisher Name: Springer, Berlin, Heidelberg
Print ISBN: 978-3-540-71680-8
Online ISBN: 978-3-540-71681-5
eBook Packages: Computer ScienceComputer Science (R0)