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Attribute
Drug Discovery & Chemistry

AutoDock Vina

Scripps Research Institute
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CategoryDrug Discovery & Chemistry
CompanyScripps Research Institute
PriceFree Open Source
StatusStatus not confirmed
AvailabilityAvailable on GitHub and Scripps website
Last checked20/09/2026
FeaturesHigh-speed multi-threaded molecular docking of flexible small-molecule ligands, Support for flexible receptor side chains and macrocyclic ligands, Python bindings (AutoDock-Vina Python package) for automated screening pipelines, Extensively integrated with open-source computational chemistry workflows
Entry typeOpen Source Software
Access modeOpen Source
AI roleEmpirical & Algorithmic Docking
Input dataNot recorded
Output dataNot recorded
Licence conditionsApache 2.0
Commercial eligibilityPermissive open source release
Compute requirementsMulti-core CPU (GPU-accelerated version available via QuickVina/Vina-GPU)
ValidationNot recorded
TypeMolecular docking software
Intended useNot recorded
CompatibilityNot recorded
ManufacturerThe Scripps Research Institute
Biological applicationVirtual screening of compound libraries and binding mode prediction
Research workflowInput receptor PDBQT and ligand PDBQT -> output binding poses and energy scores
Evidence levelPeer-reviewed research with >25,000 scientific citations
Integration evidencehttps://vina.scripps.edu
Laboratory handoffIdentified hits ordered from commercial vendors (Enamine, ChemBridge) for in vitro validation