BioSimGrid: a distributed database for biomolecular simulations
BioSimGrid: a distributed database for biomolecular simulations
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 (www.biosimgrid.org) 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.
grid, biomolecular simulation, molecular dynamics, protein, ogsa, ogsa-dai, distributed database, web service, middleware, digital certificate
1904425119
8pp
Engineering and Physical Sciences Research Council
Wu, Bing
68da5cb1-6a5f-46f9-8173-12d702625220
Tai, Kaishu
3fd38504-dad3-49d4-9aaf-0adb229a1db5
Murdock, Stuart
352e1d8a-2d79-4bc0-a47c-025715bec117
Ng, Muan Hong
6cdc5c67-aaa2-4153-b64c-3491ad848fce
Johnston, Steve
6b903ec2-7bae-4a56-9c21-eea0a70bfa2b
Fangohr, Hans
9b7cfab9-d5dc-45dc-947c-2eba5c81a160
Jeffreys, Paul
a2376cab-ac2a-4905-8bc3-91993d8cd728
Cox, Simon
0e62aaed-24ad-4a74-b996-f606e40e5c55
Essex, Jonathan
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e
2003
Wu, Bing
68da5cb1-6a5f-46f9-8173-12d702625220
Tai, Kaishu
3fd38504-dad3-49d4-9aaf-0adb229a1db5
Murdock, Stuart
352e1d8a-2d79-4bc0-a47c-025715bec117
Ng, Muan Hong
6cdc5c67-aaa2-4153-b64c-3491ad848fce
Johnston, Steve
6b903ec2-7bae-4a56-9c21-eea0a70bfa2b
Fangohr, Hans
9b7cfab9-d5dc-45dc-947c-2eba5c81a160
Jeffreys, Paul
a2376cab-ac2a-4905-8bc3-91993d8cd728
Cox, Simon
0e62aaed-24ad-4a74-b996-f606e40e5c55
Essex, Jonathan
1f409cfe-6ba4-42e2-a0ab-a931826314b5
Sansom, Mark S.P.
ed30b4fc-bc73-4ad7-8c56-f51a67136e4e
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.
.
Record type:
Conference or Workshop Item
(Paper)
Abstract
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 (www.biosimgrid.org) 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.
Text
Wu_03.pdf
- Accepted Manuscript
More information
Published date: 2003
Venue - Dates:
UK e-Science All Hands Meeting 2003, East Midlands Conference Centre, Nottingham, 2003-09-02 - 2003-09-04
Keywords:
grid, biomolecular simulation, molecular dynamics, protein, ogsa, ogsa-dai, distributed database, web service, middleware, digital certificate
Identifiers
Local EPrints ID: 65067
URI: http://eprints.soton.ac.uk/id/eprint/65067
ISBN: 1904425119
PURE UUID: 0443abcc-61bb-4cff-a941-8388ebbe446b
Catalogue record
Date deposited: 29 Jan 2009
Last modified: 16 Mar 2024 03:09
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Contributors
Author:
Bing Wu
Author:
Kaishu Tai
Author:
Stuart Murdock
Author:
Muan Hong Ng
Author:
Paul Jeffreys
Author:
Mark S.P. Sansom
Editor:
Simon J. Cox
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