Molecular docking
Molecular docking with AutoDock Vina, free on your hardware.
Prepare receptors, find pockets, dock single ligands or libraries, and inspect ranked poses in one self-hosted workbench — no account, no cloud upload.
Preparation, pocket finding, docking, and molecular dynamics are free and always will be.
From raw PDB to ranked poses
Clean the receptor, detect or draw a search box, prepare ligands with Meeko, and run AutoDock Vina with live job progress.
Batch screening in one project
Dock a library against a target, compare affinities and interactions in Mol*, and keep every pose attached to the experiment that produced it.
Continue into dynamics
Send a docked complex straight into OpenMM molecular dynamics — the same free workbench, not a second tool chain.
Frequently asked questions
Is molecular docking free forever?
Yes. Preparation, pocket finding, docking, and molecular dynamics are free and always will be.
Do I need an account or internet for docking?
No account is required. Ligand-X runs locally; after images are pulled you can work offline on your own hardware.
Which docking engine does Ligand-X use?
AutoDock Vina with Meeko ligand preparation, plus optional Vinardo scoring.