This is a free resource
for linking information about molecular docking.
If you would like to have information added to this website, please use the contact information to send your request.
Docking Programs
Free Docking Programs.
AutoDock Vina
DOCK
VinaLC (MPI Autodock Vina)
VinaMPI (MPI Autodock Vina)
Program6
Molecular Viewers
Free Molecular Viewing Programs.
VMD (Visual Molecular Dynamics)
RasMol
ADT (AutoDock Tools)
PMV (Python Molecular Viewer)
Chimera
Blank Viewer
Molecular Databases
Free Molecular Databases.
Pubchem Database
(129,926,771 Chemical Substances)
ZINC Database
(93,023,595 Chemical Substances)
Protein Database
(98,720 Protein Structures)
Directory of Useful Decoys
(36 Decoys:1 Active for 40 Protein Targets)
EPA DSSTox Database
(Structure & Toxicity Data)
DrugBank
(7680 Substances linked to 4270 Protein Targets
Docking Scripts/Tools
Content coming.