Resources

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

Graphical User Interfaces

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

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

Macrocycle docking in AutoDock Vina 1.2.x – 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

New atom types – How to add atom type parameters that are not in the AutoDock force field

External resources

External resources for docking with AutoDock – a collection of useful external resources