P-found: Grid-enabling distributed repositories of protein folding and unfolding simulations for data mining

Martin Thomas Swain, Cândida G. Silva, Nuno Loureiro-Ferreira, Vitaliy Ostropytskyy, João Brito, Olivier Riche, Frederick Stahl, Werner Dubitzky, Rui M.M. Brito

Research output: Contribution to journalArticlepeer-review

5 Citations (SciVal)

Abstract

The P-found protein folding and unfolding simulation repository is designed to allow scientists to perform data mining and other analyses across large, distributed simulation data sets. There are two storage components in P-found: a primary repository of simulation data that is used to populate the second component, and a data warehouse that contains important molecular properties. These properties may be used for data mining studies. Here we demonstrate how grid technologies can support multiple, distributed P-found installations. In particular, we look at two aspects: firstly, how grid data management technologies can be used to access the distributed data warehouses; and secondly, how the grid can be used to transfer analysis programs to the primary repositories — this is an important and challenging aspect of P-found, due to the large data volumes involved and the desire of scientists to maintain control of their own data. The grid technologies we are developing with the P-found system will allow new large data sets of protein folding simulations to be accessed and analysed in novel ways, with significant potential for enabling scientific discovery.
Original languageEnglish
Pages (from-to)424-433
Number of pages10
JournalFuture Generation Computer Systems
Volume26
Issue number3
Early online date14 Aug 2009
DOIs
Publication statusPublished - Mar 2010

Keywords

  • Data mining
  • Distributed systems
  • Service-oriented architecture
  • Grid

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