Abstract
Proteomics is about the study of the proteins expressed in an organism or a cell. Computational Proteomics regards the computational methods, algorithms, databases, and methodologies used to manage, analyze and interpret the data produced in proteomics experiments. The broad application of proteomics and the increasing resolution offered by technological platforms, especially in Mass Spectrometry-based high-throughput proteomics, make the analysis of proteomics experiments difficult and error prone without efficient algorithms and easy-to-use tools. The paper discusses the requirements of Mass Spectrometry-based Computational Proteomics applications and surveys important services, standards, and technologies useful to build modular, scalable and reusable applications in this field.
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References
Tyers, M., Mann, M.: From genomics to proteomics. Nature 422, 193–197 (2003)
Bafna, V., Reinert, K.: Mass spectrometry and computational proteomics. In: Jorde, L., Little, P., Dunn, M., Subramaniam, S. (eds.) Encyclopedia of Genetics, Genomics, Proteomics and Bioinformatics, John Wiley and Sons Ltd., Chichester (2006)
Boguski, M., McIntosh, M.: Biomedical informatics for proteomics. Nature 422, 233–237 (2003)
Aebersold, R., Mann, M.: Mass spectrometry-based proteomics. Nature 422, 198–207 (2003)
Breton, V., Dean, K., Solomonides, T.: The healthgrid white paper. In: Solomonides, T., McClatchey, R., Breton, V., Legrè, Y., Norager, S. (eds.) From Grid to Healthgrid, IOS Press, Amsterdam (2005)
Glish, G.L., Vachet, R.W.: The basic of mass spectrometry in the twenty-first century. Nature Reviews 2, 140–150 (2003)
Wu, B., Abbott, T., Fishman, D., McMurray, W., Mor, G., Stone, K., Ward, D., Williams, K., Zhao, H.: Comparison of statistical methods for classification of ovarian cancer using mass spectrometry data. Bioinformatics 1, 1636–1643 (2003)
Gopalakrishnan, V., William, E., Ranganathan, S., Bowser, R., Cudkowic, M.E., Novelli, M., Lattazi, W., Gambotto, A., Day, B.W.: Proteomic data mining challenges in identification of disease-specific biomarkers from variable resolution mass spectra. In: Proceedings of SIAM Bioinformatics Workshop 2004, Lake Buena Vista, FL, pp. 1–10 (2004)
Witten, I.H., Frank, E.: Data Mining: Practical machine learning tools and techniques, 2nd edn. Morgan Kaufmann, San Francisco (2005)
(PMML) Predictive Model Markup Language: http://www.dmg.org/
(CRISP-DM): http://www.crisp-dm.org/
Cannataro, M., Guzzi, P.H., Mazza, T., Tradigo, G., Veltri, P.: Preprocessing of mass spectrometry proteomics data on the grid. In: CBMS, pp. 549–554. IEEE Computer Society Press, Los Alamitos (2005)
Jeffries, N.: Algorithms for alignment of mass spectrometry proteomic data. Bioinformatics 21, 3066–3073 (2005)
Wong, J.W.H., Cagney, G., Cartwright, H.M.: Specalign - processing and alignment of mass spectra datasets. Bioinformatics 21, 2088–2090 (2005)
Yasui, Y., McLerran, D., Adam, B., Winget, M., Thornquist, M., Feng, Z.: An automated peak identification/calibration procedure for high-dimensional protein measures from mass spectrometers. Journal of Biomedicine and Biotechnology 1, 242–248 (2003)
Xu, C., Ma, B.: Software for computational peptide identification from MS-MS data. Drug Discovery Today 11, 595–600 (2006)
Eng, J.K., McCormack, A.L., Yates, 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)
Perkins, D.N., Pappin, D.J., Creasy, D.M., Cottrell, J.S.: Probability-based protein identification by searching sequence databases using mass spectrometry data. Electrophoresis 20, 3551–3567 (1999)
Lu, B., Chen, T.: Algorithms for de novo peptide sequencing via tandem mass spectrometry. Drug Discovery Today:Biosilico 2, 85–90 (2004)
Cannataro, M., Cuda, G., Gaspari, M., Veltri, P.: An interactive tool for the management and visualization of mass-spectrometry proteomics data. In: Masulli, F., Mitra, S., Pasi, G. (eds.) WILF. LNCS (LNAI), vol. 4578, pp. 635–642. Springer, Heidelberg (2007)
Orchard, S., Hermjakob, H., Binz, P., Hoogland, C., Taylor, C.F., Zhu, W., Julian Jr., R., Apweiler, R.: Further steps towards data standardisation: The proteomic standards initiative hupo 3rd annual congress, beijing 25-27th october, 2004. Proteomics 5, 337–339 (2005)
Li, X., Pedrioli, P., Eng, J., Martin, D., Yi, E., Lee, H., Aebersold, R.: A tool to visualize and evaluate data obtained by liquid chromatography-electrospray ionization-mass spectrometry. Anal. Chem. 76, 3856–3860 (2004)
Veltri, P., Cannataro, M., Tradigo, G.: Sharing mass spectrometry data in a grid-based distributed proteomics laboratory. Information Processing and Management 43, 577–591 (2007)
(mzViewer), http://www.bioinformatics.bbsrc.ac.uk/projects/mzviewer/
(CCWiffer), http://www.charlestoncore.org/docs/ccwiffer/usermanual.html
Foster, I.T.: Globus toolkit version 4: Software for service-oriented systems. In: Jin, H., Reed, D., Jiang, W. (eds.) NPC 2005. LNCS, vol. 3779, pp. 2–13. Springer, Heidelberg (2005)
Sivashanmugam, K., Verma, K., Sheth, A.P., Miller, J.A.: Adding semantics to web services standards. In: Zhang, L.J. (ed.) ICWS, pp. 395–401. CSREA Press (2003)
Cannataro, M., Guzzi, P., Mazza, T., Tradigo, G., Veltri, P.: Managing ontologies for grid computing. Multiagent and Grid Systems 2, 29–44 (2006)
Maedche, A.: Ontology Learning for the Semantic Web. Kluwer Academic Publishers, Dordrecht (2002)
(LifeScienceGrid), http://forge.gridforum.org/projects/lsg-rg
(GlobalGridForum), http://www.gridforum.org
Yu, J., Buyya, R.: A taxonomy of scientific workflow systems for grid computing. SIGMOD Rec. 34, 44–49 (2005)
Shah, S.P., He, D.Y., Sawkins, J.N., Druce, J.C., Quon, G., Lett, D., Zheng, G.X., Xu, T., Ouellette, B.F.: Pegasys: software for executing and integrating analyses of biological sequences. BMC Bioinformatics 5 (2004)
Stevens, R., Robinson, A., Goble, C.: mygrid: Personalised bioinformatics on the information grid. Bioinformatics 19, 302–302 (2004)
Cannataro, M., Veltri, P.: MS-Analyzer: Composing and Executing Preprocessing and Data Mining Services for Proteomics Applications on the Grid. In: Concurrency and Computation: Practice and Experience, 19 Dec 2006, Wiley Published, Chichester (in press, 2006)
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Cannataro, M., Veltri, P. (2007). Services, Standards, and Technologies for High Performance Computational Proteomics . In: Thulasiraman, P., He, X., Xu, T.L., Denko, M.K., Thulasiram, R.K., Yang, L.T. (eds) Frontiers of High Performance Computing and Networking ISPA 2007 Workshops. ISPA 2007. Lecture Notes in Computer Science, vol 4743. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-540-74767-3_42
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DOI: https://doi.org/10.1007/978-3-540-74767-3_42
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