A |
Single docking experiment with AutoDock Vina |
Basic docking method for study of a single ligand with a single receptor |
B |
Single docking experiment with AutoDock |
Basic docking method for study of a single ligand with a single receptor, with explicit calculation of affinity maps. |
C |
Virtual Screening with Raccoon2 and AutoDock Vina |
Virtual screen of a library of ligands with a single receptor, often used for drug discovery |
D |
AutoDock Vina with Flexible Side Chains |
Docking method for a single ligand with a single receptor, incorporating limited receptor flexibility |
E |
Active Site Prediction with AutoLigand |
Method for analysis of receptor binding sites, for prediction of drugable sites |
F |
Docking with Explicit Waters |
Advanced docking method for a single ligand with a single receptor incorporating explicit bridging water molecules |