Choose a method according to the information available and the library format:
| Starting point | Method | Input |
|---|---|---|
| Receptor structure; flexible docking of library compounds | `vls{ICM-VLS} | Prepared docking project and ligand database |
| Receptor structure; GPU screening of conformers | `ridge{RIDGE} | Prepared docking project and .molt conformer database |
| Receptor structure; fragment screening | `fragment-screening{Fragment Screening} | Prepared docking project and fragment library |
| Reference ligand or aligned ligands; flexible similarity screening | `ligand-based-screen{APF screening} | 3D template and SD database |
| Reference ligand or aligned ligands; fast conformer search | `ride{RIDE} | 3D template and conformer database |