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A GRID Database for biomolecular simulations



The overall objective of the project is to draw together and formalise relationships within the biomolecular simulation community in order to enable optimum use of resources and to facilitate training of students and postdocs. The Specific aims within this objective are: To establish a formal consortium for biomolecular simulations within the UK, building on existing arrangements to increase collaboration and foster collective efforts via workshops and via a flag-ship project based on distributed, shared data structures. To establish a biomolecular simulation database. To exploit the GRID so that the database will exist in a distributed form but can be curated and interrograted centrally. To develop software tools for interrogation and data-mining across entire distributed database. Added value from taking the GRID approach with assocaited metedata facilities comes from enabling data-mining across all simulations in the database and facilitating access to simulation results by non-experts eg in the structural biology and genomics communities. The DTI funding will support an additional post doc to move the project towards technology transfer. Specifically, this will aim to provide a biosimulation database that could be used directly by industry or that could be used as a template for in-house biosimulation databases. The first stage of this process will be to conduct a market survey of industry needs and to define the gap between academic and industrialversions of the software and database. The post doc will then work towards developing an industry standard version of the database including consideration of GRID security.

Maturity: Initial Research
Region: UK
Type: Pilot
Grant Value: £730,396.00
Start Date: 01/12/2002
End Date: Not specified
Project Status: funded
Funding Agency: BBSRC DTI

Project Members
Prof Mark Sansom

Collaborating Organisations
Birkbeck College
STFC - Daresbury Laboratory
University of Birmingham
University of Nottingham
University of Oxford
University of Southampton
University of York

Component(s) Project Develops
Data Management Services
Data Mining and Analysis Services
Grid Computational Services

Application Area(s) associated with Project


Last Updated: 22 Jun 12 11:02
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