Docking: Identification of the binding modes of a small molecule, or ligand, within a macromolecule, or receptor.
| Online Tool | Description |
|---|---|
| 3DLigandSite | Automated method for the prediction of ligand binding sites in proteins. |
| DOCK | Search databases of ligands for compounds that bind a particular protein. |
| GRAMM-X Protein-Protein Docking Web Server | Protein docking software GRAMM (Global RAnge Molecular Matching). |
| LigPlot+ | A program for automatic generation of 2D ligand-protein interaction diagrams. |
| Ligand-Protein Contacts (LPC) | Analysis of inter-atomic contacts in ligand-protein complexes, and inter-atomic contacts in protein entries. |
| PatchDock | Molecular docking algorithm based on shape complementarity principles. |
| Protein-Protein Interaction Server | Human protein-protein interaction prediction. |
| SPOT-CBP | Carbohydrate-binding Protein Prediction from 3D structure. |
| SPOT-ligand | Virtual Ligand Screening based on Binding Homology from Protein 3D Structure. |