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BMCBI
2008
118views more  BMCBI 2008»
13 years 4 months ago
Virtual screening of GPCRs: An in silico chemogenomics approach
The G-protein coupled receptor (GPCR) superfamily is currently the largest class of therapeutic targets. In silico prediction of interactions between GPCRs and small molecules is ...
Laurent Jacob, Brice Hoffmann, Véronique St...
BMCBI
2008
118views more  BMCBI 2008»
13 years 4 months ago
DOVIS: an implementation for high-throughput virtual screening using AutoDock
Background: Molecular-docking-based virtual screening is an important tool in drug discovery that is used to significantly reduce the number of possible chemical compounds to be i...
Shuxing Zhang, Kamal Kumar, Xiaohui Jiang, Anders ...
BMCBI
2008
155views more  BMCBI 2008»
13 years 4 months ago
AMMOS: Automated Molecular Mechanics Optimization tool for in silico Screening
Background: Virtual or in silico ligand screening combined with other computational methods is one of the most promising methods to search for new lead compounds, thereby greatly ...
Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno ...
CCGRID
2007
IEEE
13 years 8 months ago
Large Scale Deployment of Molecular Docking Application on Computational Grid infrastructures for Combating Malaria
Computational grids are solutions for several biological applications like virtual screening or molecular dynamics where large amounts of computing power and storage are required....
Vinod Kasam, Jean Salzemann, Nicolas Jacq, Astrid ...