Name
Title | ||
|---|---|---|
Grid enabled high throughput virtual screening against four different targets implicated in malaria. |
Abstract | ||
|---|---|---|
After having deployed a first data challenge on malaria and a second one on avian flu, respectively in summer 2005 and spring 2006, we are demonstrating here again how efficiently the computational grids can be used to produce massive docking data at a high-throughput. During more than 2 months and a half, we have achieved at least 140 million dockings, representing an average throughput of almost 80,000 dockings per hour. This was made possible by the availability of thousands of CPUs through different infrastructures worldwide. Through the acquired experience, the WISDOM production environment is evolving to enable an easy and fault-tolerant deployment of biological tools; in this case it is the FlexX commercial docking software which is used to dock the whole ZINC database against 4 different targets. |
Year | Venue | Keywords |
|---|---|---|
2007 | Studies in Health Technology and Informatics | large scale deployment,Computational grids,Malaria,In silico docking,Virtual Screening,WISDOM |
Field | DocType | Volume |
DOCK,Data mining,Software deployment,Development environment,Software,Malaria,Throughput,Virtual screening,Medicine,Grid | Conference | 126 |
ISSN | Citations | PageRank |
0926-9630 | 1 | 0.38 |
References | Authors | |
2 | 6 | |
Name | Order | Citations | PageRank |
|---|---|---|---|
| Jean Salzemann | 1 | 80 | 7.56 |
| Vinod Kasam | 2 | 69 | 8.10 |
| Nicolas Jacq | 3 | 115 | 11.37 |
| Astrid Maaß | 4 | 39 | 4.11 |
| Horst Schwichtenberg | 5 | 73 | 10.05 |
| Vincent Breton | 6 | 191 | 23.74 |