Using a private desktop grid system for accelerating drug discovery

Authors:
József Kovács;Peter Kacsuk;Andre Lomaka
Affiliations:
MTA SZTAKI, Kende u. 13-17, 1111 Budapest, Hungary;MTA SZTAKI, Kende u. 13-17, 1111 Budapest, Hungary;TUT, Department of Chemistry, Akadeemia tee 15, Tallinn, Estonia
Venue:
Future Generation Computer Systems
Year:
2011

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Abstract

Drug design is a challenging and computationally intensive task. Chemists are often faced with handling huge amounts of data as well as with working with huge amounts of computational resources. This paper shows that using the BOINC system as a private, dedicated desktop grid a community, like the EU CancerGrid chemist community, can easily set up its own high-end infrastructure based on available and inexpensive desktop computers. The CancerGrid Computing System described in the paper can easily be adapted for the needs of other user communities having similar infrastructure requirements.