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

Biomedical Sciences Research Institute Computer Science Research Institute Environmental Sciences Research Institute Nanotechnology & Advanced Materials Research Institute

Swain, Martin, Silva, Cândida, Loureiro-Ferreira, Nuno, Ostropytskyy, Vitaliy, Brito, João, Riche, Olivier, Stahl, Frederick, Dubitzky, Werner and Brito, Rui M M (2010) P-found: Grid-enabling distributed repositories of protein folding and unfolding simulations for data mining. Future Generation Computer Systems, 26 (3). pp. 424-433. [Journal article]

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DOI: 10.1016/j.future.2009.08.008

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.

Item Type:Journal article
Faculties and Schools:Faculty of Life and Health Sciences
Faculty of Life and Health Sciences > School of Biomedical Sciences
Research Institutes and Groups:Biomedical Sciences Research Institute
Biomedical Sciences Research Institute > Molecular Medicine
ID Code:20725
Deposited By:Professor Werner Dubitzky
Deposited On:10 Jan 2012 14:50
Last Modified:07 Feb 2012 09:56

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