Using a private desktop grid system for accelerating drug discovery

TitleUsing a private desktop grid system for accelerating drug discovery
Publication TypeJournal Article
Year of Publication2011
AuthorsKovács, J, Kacsuk, P, Lomaka, A
JournalFuture Generation Computer Systems
Volume27
Issue6
Pagination657 - 666
Date PublishedJan-06-2011
ISSN0167739X
KeywordsBOINC, cloud, desktop grid, drug discovery, science gateway, service grid
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.

URLhttp://www.sciencedirect.com/science/article/pii/S0167739X10002578
DOI10.1016/j.future.2010.12.008
Short TitleFuture Generation Computer Systems