Skill

bio-applied-docking

Dock ligands into a receptor with AutoDock Vina: build PDBQT files (Open Babel/RDKit), set the grid box, run vina, parse/rank poses by affinity and RMSD. Use for molecular docking, virtual screening, redocking a co-crystal ligand, or PDB/SMILES to PDBQT conversion.

Claim this listing

Connect your GitHub to prove you own or maintain this listing. We verify repo access automatically — most publishers are confirmed in seconds.

1Connect GitHub

2Submit your claim

3Auto-verified, or reviewed within 48h