Grid-enabled Virtual Screening Against Malaria
نویسندگان
چکیده
منابع مشابه
Grid Enabled High Throughput Virtual Screening Against Four Different Targets Implicated in Malaria
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 alm...
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The first challenge in the 2014 competition launched by the Teach-Discover-Treat (TDT) initiative asked for the development of a tutorial for ligand-based virtual screening, based on data from a primary phenotypic high-throughput screen (HTS) against malaria. The resulting Workflows were applied to select compounds from a commercial database, and a subset of those were purchased and tested expe...
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Plasmodium falciparum is dangerous malarial species and most burdensome form of human malaria, affecting 200–300 million individuals per year worldwide, also because of its high rate of resistance outbreaks; there is a constant need for the discovery of novel antimalarials and drug targets. The three-dimensional structures of PFHGPRT, HSHGPRT and TCHGPRT were used for comparative docking study,...
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ژورنال
عنوان ژورنال: Journal of Grid Computing
سال: 2007
ISSN: 1570-7873,1572-9184
DOI: 10.1007/s10723-007-9085-5