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BioSimGrid: a distributed database for biomolecular simulations

Wu, Bing, Tai, Kaishu, Murdock, Stuart, Ng, Muan Hong, Johnston, Steve, Fangohr, Hans, Jeffreys, Paul, Cox, Simon, Essex, Jonathan and Sansom, Mark S.P., (2003) BioSimGrid: a distributed database for biomolecular simulations Cox, Simon J. (ed.) In Proceedings of UK e-Science All Hands Meeting 2003. Engineering and Physical Sciences Research Council. 8 pp, 8pp.

Record type: Conference or Workshop Item (Paper)


Biomolecular simulations provide data on the conformational dynamics and energetics of complex biomolecular systems. We aim to exploit the e-science infrastructure developing in the UK to enable large scale analysis of the results of such simulations. In particular, the BioSimGrid project ( will provide a generic database for comparative analysis of simulations of biomolecules of biological and pharmaceutical interest. In order to address the challenges of distributed computing on large amounts of simulation data the project is building an open software framework system based on OGSA (Open Grid Service Architecture) and OGSA-DAI (Open Grid Service Architecture Database Access and Integration). The system will have a service-oriented computing model using Grid-based Web service technology to deliver data analysis. Data mining services will be provided for the biomolecular simulation and structural biology communities. To address the security problem of the heterogeneous BioSimGrid environment, a Grid certificate-based and a user/pass based authentication mechanism will be integrated across the system. Furthermore, a distributed authorization and accounting mechanism is discussed to enhance the security.

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Published date: 2003
Venue - Dates: UK e-Science All Hands Meeting 2003, 2003-09-02 - 2003-09-04
Keywords: grid, biomolecular simulation, molecular dynamics, protein, ogsa, ogsa-dai, distributed database, web service, middleware, digital certificate


Local EPrints ID: 65067
ISBN: 1904425119
PURE UUID: 0443abcc-61bb-4cff-a941-8388ebbe446b
ORCID for Steve Johnston: ORCID iD
ORCID for Jonathan Essex: ORCID iD

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Date deposited: 29 Jan 2009
Last modified: 17 Jul 2017 14:10

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Author: Bing Wu
Author: Kaishu Tai
Author: Stuart Murdock
Author: Muan Hong Ng
Author: Steve Johnston ORCID iD
Author: Hans Fangohr
Author: Paul Jeffreys
Author: Simon Cox
Author: Jonathan Essex ORCID iD
Author: Mark S.P. Sansom
Editor: Simon J. Cox

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