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|Title:||MOLA: a tool for automation of parallel virtual docking using AutoDock Vina in a heterogeneous set of computer clusters|
|Authors:||Abreu, Rui M.V.|
Froufe, Hugo J.C.
Queiroz, Maria João R.P.
Ferreira, Isabel C.F.R.
|Citation:||Abreu, Rui M.V.; Froufe, Hugo; Queiroz, Maria João R.P.; Ferreira, Isabel C.F.R. (2009) - MOLA: a tool for automation of parallel virtual docking using AutoDock Vina in a heterogeneous set of computer clusters. In eCheminfo InterAction Meeting- Latest Advances in Drug Discovery Informatics. Philadelphia|
|Abstract:||The use of molecular docking lo search large databases of compounds for possible ligands of a protein receptor is usually termed virtual screening and has been successfully applied in several therapeutic programs at the lead discovery stage. However, large scale virtual screening is lime demanding and usually requires dedicated High Performance Computing (H PC) systems.|
|Appears in Collections:||BB - Resumos em Proceedings Não Indexados ao ISI/Scopus|
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