I am looking for software for protein-ligand docking. I am aware of AutoDock, VINA, HADDOCK.
Which one do you suggest for virtual screening? (any other options are also welcome!)
The performance of the molecular docking software varies based on the type of docking (rigid or flexible), active site's properties (hydrophobic or hydrophilic), etc.
The short answer is, if you are looking for free software, use Autodock Vina. If you can afford commercial ones, use Glide (Schrödinger Suit) or discovery studio
Or, you can try several docking servers:
the list and specialties of other docking software can be found here:
Thank you for the info!
Login before adding your answer.
Use of this site constitutes acceptance of our User Agreement and Privacy