Docking & Binding · Scripps Research
The docking engine every other docking paper compares itself against.
30s–5min
Runs on On-demand GPU
Runs on our servers with on-demand compute. A first run needs time to load the model; active capacity can be reused and scales down when idle.Run this model
About this model
Vina is the baseline of the field: a scoring function reviewers already trust, and the number people mean when they say 'the docking score'. Give it a receptor and a molecule and it searches for where the molecule sits and how well it fits. If your structure already has a ligand bound, the search box is placed there; otherwise you can give coordinates, or let it search the whole protein and read the result as the weaker claim that it is.
Standardized I/O contract
Every model in the Hub speaks the same contract, which is what lets the Router and the agent call any of them without special-casing.
Inputs
Receptor (PDB or entry code)
Ligand SMILES
Search box centre
Search box size (A)
Exhaustiveness
Poses to return
Outputs
All-atom coordinates in PDB format, viewable and downloadable.
Poses with Vina score in kcal/mol.
