2. AUTODOCK- USA (1990) AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. Current distributions of AutoDock consist of two generations of software: AutoDock 4 and AutoDock Vina.
3. FlexX- Germany (1996) Receptor is treated as rigid. Incremental construction algorithm: Break Ligand up into rigid fragments Dock fragments into pocket of receptor Reassemble ligand from fragments. Energy conformations
4. GOLD- UK (1995) Performs automated docking with full acyclic ligand flexibility, partial cyclic ligand flexibility and partial protein flexibility in and around active site. Scoring: includes H-bonding term, pairwise dispersion potential (hydrophobic interactions), molecular and mechanics term for internal energy