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» SuperPred: drug classification and target prediction
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BMCBI
2010
123views more  BMCBI 2010»
13 years 9 months ago
A new protein binding pocket similarity measure based on comparison of clouds of atoms in 3D: application to ligand prediction
Background: Predicting which molecules can bind to a given binding site of a protein with known 3D structure is important to decipher the protein function, and useful in drug desi...
Brice Hoffmann, Mikhail Zaslavskiy, Jean-Philippe ...
BMCBI
2008
118views more  BMCBI 2008»
13 years 9 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...