Resources

These are the resources available for the AutoDock Suite, including external resources developed by others.

Graphical User Interfaces

AutoDockTools (ADT)

Raccoon v1.0 (AutoDock4) & Raccoon v2.0 (AutoDock Vina) – graphical user interfaces to prepare and submit docking jobs with AutoDock4 and AutoDock Vina.

Target analysis and pocket predictions

AutoLigand – ligand site finder and drug development tool

AutoSite – computational method for identifying and characterizing binding sites in macro-molecules with a known three-dimensional structure (receptor)

Specialized methods and protocols

AutoDock covalent docking – a method to perform covalent docking of molecules (tethered docking)

Hydrated docking Рforce field and hydration docking method for automated prediction of waters mediating the binding of ligands with target proteins

AutoDock-ZN force field Р a specialized potential describing the interactions of zinc-coordinating ligands

Macrocycle docking – docking macrocycles as flexible during docking

Multiple ligand docking – simultaneous docking of multiple ligands

Advanced Python scripting – setting up and running docking calculations using Python

External resources

A collection of useful external resources