SwissDock Dock Ligand
Perform protein-ligand molecular docking using SwissDock service with AutoDock Vina or Attracting Cavities 2.0 engines. Predicts binding modes, poses, and energies for small molecules against protein structures. Essential for drug discovery, virtual screening, and structure-based drug design. Supports blind docking (whole protein) or targeted docking (specific binding site). Returns docking scores, poses, and download URL for detailed results. Example: Dock aspirin (CC(=O)Oc1ccccc1C(=O)O) again…
Overview
Perform protein-ligand molecular docking using SwissDock service with AutoDock Vina or Attracting Cavities 2.0 engines. Predicts binding modes, poses, and energies for small molecules against protein structures. Essential for drug discovery, virtual screening, and structure-based drug design. Supports blind docking (whole protein) or targeted docking (specific binding site). Returns docking scores, poses, and download URL for detailed results. Example: Dock aspirin (CC(=O)Oc1ccccc1C(=O)O) against COX-2 (PDB: 1CX2) to predict binding mode and affinity. Note: actual docking takes minutes-to-hours of upstream compute. test_examples are intentionally empty; submit a job with check_job_status polling to retrieve results.
Schema
JSON Schema the agent (or your API call) must match.
View JSON schemaExpandCollapse
Examples (1)
Default SwissDock Dock Ligand call
Identifiers
- Catalog ID
- tu_SwissDock_dock_ligand
- Tool name
- SwissDock_dock_ligand
- Added
- 2026-04-30 22:47Z
- Tags
- tooluniverse, slow