computational mass spectrometry–based proteomics计算质量spectrometry-based蛋白质组学.pdfVIP

Education Computational Mass Spectrometry–Based Proteomics ¨ 1 2 Lukas Kall , Olga Vitek * 1 Science for Life Laboratory, Royal Institute of Technology, Stockholm, Sweden, 2 Department of Statistics, Department of Computer Science, Purdue University, West Lafayette, Indiana, United States of America This is an original PLoS Com- sample processing and spectral acquisition, trometer according to their mass-to-charge putational Biology tutorial. and ambiguities of spectral interpretation. ratio in a mass spectrum (MS). The mass Statistical experimental design [14,15] spectra obtained from the same sample at accounts for these sources of variation. different elution times form an LC-MS run, Goals and Challenges of The first goal of experimental design is to and intensities of MS peaks, are related to Proteomics avoid biases [16,17] (i.e., systematic errors peptide abundance. For identification, the in interpretation) by clearly defining the mass spectrometer isolates the biological Proteomics is defined as the system-wide populations of interest, matching the material of selected MS peaks, subjects it to characterization of all the proteins in an individuals with respect to the confound- collision energy or another type of frag- organism in terms of their sequence, ing factors, randomizing the selection of mentation, and separates the resulting localization, abundance, post-translational