New docking job
LigandHub PipelineLine: SMILES → 3D → PDBQT → Vina → Result SDF reassembledto Automatic
1. Default Info
2. Receptors + Binding pocket
3. Ligand (Molecule Library)
137 SelectEGFR Inhibitor Discovery Set v1
Auto-process: SMILES → 3D embedding(ETKDG+MMFF) → Meeko PDBQT Convert → Vina queue push