In silico Drug Design: some concepts & tools - Bioinformatics: Ligand binding pockets

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Bioinformatics : Ligand binding pockets

To design a compound, if you know the target and if you have a 3D structure for this target, it can be critical to identify likely binding pockets at the surface of this target (see for example our review Perot et al., DDT 2010), to score these pockets, to compare pockets from you target with databases of pockets... Many in silico tools have been developed (over 100) (see the Shortlist page).

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