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

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

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    5 Citations (Scopus)

    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 challengingaspect of P-found, due to the large data volumes involved and the desire of scientists to maintain control of their own data. The grid technologiesweare 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
    JournalFuture Generation Computer Systems
    Volume26
    Issue number3
    DOIs
    Publication statusPublished - Mar 2010

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    Swain, M., Silva, C., Loureiro-Ferreira, N., Ostropytskyy, V., Brito, J., Riche, O., Stahl, F., Dubitzky, W., & Brito, R. M. M. (2010). P-found: Grid-enabling distributed repositories of protein folding and unfolding simulations for data mining. Future Generation Computer Systems, 26(3), 424-433. https://doi.org/10.1016/j.future.2009.08.008