Automatic clustering of docking poses in virtual screening process using self-organizing map

Guillaume Bouvier (1, 2) , Nathalie Evrard-Todeschi (1, 2) , Jean-Pierre Girault (1, 2) , Gildas Bertho (1, 2)

1 UPD5 - Université Paris Descartes - Paris 5
2 LCBPT - UMR 8601 - Laboratoire de Chimie et de Biochimie Pharmacologiques et Toxicologiques

Domaines: Bio-informatique [q-bio.QM]

Guillaume Bouvier, Nathalie Evrard-Todeschi, Jean-Pierre Girault, Gildas Bertho. Automatic clustering of docking poses in virtual screening process using self-organizing map. Bioinformatics, 2010, 26 (1), pp.53-60. ⟨10.1093/bioinformatics/btp623⟩. ⟨hal-03684971⟩