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

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

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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)

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DrugBank
(7680 Substances linked to 4270 Protein Targets

Docking Scripts/Tools

Content coming.

Docking Videos

Contact

Jason Bret Harris
VirtualDocking@gmail.com