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Journal article

Grid computing and biomolecular simulation.

Abstract:

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...

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Publication status:
Published
Peer review status:
Peer reviewed

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Publisher copy:
10.1098/rsta.2005.1626

Authors


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Institution:
University of Oxford
Division:
MSD
Department:
Biochemistry
Role:
Author
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Engineering and Physical Sciences Research Council More from this funder
Biotechnology and Biological Sciences Research Council More from this funder
Publisher:
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:
2005-08-01
DOI:
EISSN:
1471-2962
ISSN:
1364-503X
Source identifiers:
100678
Language:
English
Keywords:
Pubs id:
pubs:100678
UUID:
uuid:22fcea62-e0c2-44f0-a220-c70514c9871d
Local pid:
pubs:100678
Deposit date:
2012-12-19

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