Dock and rescore ligands against a protein target with CNN-guided pose search and flexible binding-site definition.
Defaults work for most jobs. Adjust CNN scoring and search parameters only when you need finer control.
Provide a PDB ID (downloaded from RCSB) or upload a PDB/CIF structure file, then define the docking search region.
Choose how the docking search region is defined.
Adjust the box in the viewer or enter coordinates manually.
Upload one or more 3D ligand structure files. Supported types: SDF, MOL, MOL2, PDB, PDBQT.