- Abstract:
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Biomolecular computer simulations are now widely used not only in an academic setting to understand the fundamental role of molecular dynamics on biological function, but also in the industrial context to assist in drug design. In this paper, two applications of Grid computing to this area will be outlined. The first, involving the coupling of distributed computing resources to dedicated Beowulf clusters, is targeted at simulating protein conformational change using the Replica Exchange metho...
Expand abstract - Publication status:
- Published
- Peer review status:
- Peer reviewed
- Version:
- Accepted manuscript
- Files:
-
-
(pdf, 900.7KB)
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- Publisher copy:
- 10.1098/rsta.2005.1626
-
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- Publisher:
- The Royal Society Publisher's website
- Journal:
- Philosophical transactions. Series A, Mathematical, physical, and engineering sciences Journal website
- Volume:
- 363
- Issue:
- 1833
- Pages:
- 2017-2035
- Publication date:
- 2005-08-05
- DOI:
- EISSN:
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1471-2962
- ISSN:
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1364-503X
- URN:
-
uuid:22fcea62-e0c2-44f0-a220-c70514c9871d
- Source identifiers:
-
100678
- Local pid:
- pubs:100678
- Copyright holder:
- The Royal Society
- Copyright date:
- 2005
- Notes:
- Copyright 2005 The Royal Society. Woods C.J. et al. (2005) Grid Computing and Biomolecular Simulation. Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences [Online], 363 (1833), 2017–2035. Published by the Royal Society (http://www.pubs.royalsoc.ac.uk/index.cfm?page=1449)
Journal article
Grid computing and biomolecular simulation.
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Engineering and Physical Sciences Research Council
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Biotechnology and Biological Sciences Research Council
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