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Automatic Elucidation Of Gpi Molecular Structures With Grid Computing Technology, Juan Clemente Aguilar Bonavides

Open Access Theses & Dissertations

Glycosylphosphatidylinositol (GPI)-anchored proteins are involved in many biological processes and are of medical importance. The identification and analysis of the entire collection of free and protein-linked GPIs within an organism (i.e., GPIomics) requires highly sensitive instruments. At present, liquid chromatography-tandem mass spectrometry (LC-MS/MS or -MSⁿ) is the most efficient laboratory technique for these tasks. As a typical MSⁿ experiment produces hundreds of thousands of spectra, the data analysis creates a major bottleneck in high-throughput GPIomic projects. Yet, no computational tool for characterizing the chemical structures of GPI is available to date. We propose a library-search algorithm to …