Contact-based ligand-clustering approach for the identification of active compounds in virtual screening

Gildas Bertho (1) , Alexey Mantsyzov (1) , Guillaume Bouvier , Nathalie Evrard-Todeschi (1)

1 UPD5 - Université Paris Descartes - Paris 5

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

Gildas Bertho, Alexey Mantsyzov, Guillaume Bouvier, Nathalie Evrard-Todeschi. Contact-based ligand-clustering approach for the identification of active compounds in virtual screening. Advances and applications in bioinformatics and chemistry, 2012, pp.61. ⟨10.2147/AABC.S30881⟩. ⟨hal-03684866⟩