Protein Ligand Docking Software Suggestion
Hi,
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!)
Thank you!
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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: http://www.swissdock.ch/ http://blaster.docking.org/ http://dinc.kavrakilab.org/ http://bioserv.rpbs.univ-paris-diderot.fr/services/MTiOpenScreen/
the list and specialties of other docking software can be found here: https://en.wikipedia.org/wiki/List_of_protein-ligand_docking_software
Thank you for the info!