RADock
Dock a molecule without the setup — prep, pocket, and grid handled for you.

01 · Inputs

The molecule to dock, as a SMILES string.
A PDB ID. The pocket is found for you.
Binding site
Search effort
  1. Prepare structures
    add H · charges · PDBQT
  2. Detect binding pocket
    P2Rank · auto grid box
  3. Dock & validate
    AutoDock Vina · PoseBusters

02 · Results

Binding poses

Ranked by Vina affinity. Tap a pose to view it.

Reading the scores. The affinity is a Vina docking score in kcal/mol — a ranking signal for prioritising candidates, not a measured binding free energy. The validity badge reports PoseBusters physical checks on each pose.

Ready when you are

Set a ligand and target, then run docking to see ranked binding poses in 3D.

Docking engine: AutoDock Vina 1.2.5 · P2Rank · PoseBusters