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  • About
  • The Global ETD Search service is a free service for researchers to find electronic theses and dissertations. This service is provided by the Networked Digital Library of Theses and Dissertations.
    Our metadata is collected from universities around the world. If you manage a university/consortium/country archive and want to be added, details can be found on the NDLTD website.
1

PARALLEL COMPUTING ALGORITHMS FOR TANDEM

2013 April 1900 (has links)
Tandem mass spectrometry, also known as MS/MS, is an analytical technique to measure the mass-to-charge ratio of charged ions and widely used in genomics, proteomics and metabolomics areas. There are two types of automatic ways to interpret tandem mass spectra: de novo methods and database searching methods. Both of them need to use massive computational resources and complicated comparison algorithms. The real-time peptide-spectrum matching (RT-PSM) algorithm is a database searching method to interpret tandem mass spectra with strict time constraints. Restricted by the hardware and architecture of an individual workstation the RT-PSM algorithm has to sacrifice the level of accuracy in order to provide prerequisite processing speed. The peptide-spectrum similarity scoring module is the most time-consuming part out of four modules in the RT-PSM algorithm, which is also the core of the algorithm. In this study, a multi-core computing algorithm is developed for individual workstations. Moreover, a distributed computing algorithm is designed for a cluster. The improved algorithms can achieve the speed requirement of RT-PSM without sacrificing the accuracy. With some expansion, this distributed computing algorithm can also support different PSM algorithms. Simulation results show that compared with the original RT-PSM, the parallelization version achieves 25 to 34 times speed-up based on different individual workstations. A cluster with 240 CPU cores could accelerate the similarity score module 210 times compare with the single-thread similarity score module and the whole peptide identification process 85 times compare with the single-thread peptide identification process.

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