Free tools and databases for ligand discovery.



Our tools include ZINC, a database of commercially available compounds for virtual screening, http://zinc.dockin.org; UCSF DOCK, a molecular docking program, http://dock.docking.org; DOCK Blaster, a free virtual screening facility, http://blaster.docking.org; DUD, a directory of useful decoys for benchmarking docking programs, http://dud.docking.org; The Similarity Ensemble Approach for predicting the biology targets of small molecules based on their similarity to known bioactives, http://sea.docking.org.