AutoDock4 is a computational docking program based on an empirical free energy force field and rapid Lamarckian genetic algorithm search method. Docking is performed in two steps: first, a grid-based lookup table of interaction energies is calculated for the receptor using AutoGrid, then ligands are docked with AutoDock using this information.

AutoDock4 is a core element of the AutoDock suite of free open source software for the computational docking and virtual screening of small molecules to macromolecular receptors.

AutoDock is being developed and maintained in the Forli Laboratory, with support from the US National Institutes of Health.

Usage Policy

AutoDock 4 and AutoGrid 4 are free software, distributed under the GNU General Public License.  The C and C++ source code of all the programs is provided, along with ready-to-run executables for several popular computers.

If you plan to use AutoDock 4 for commercial purposes we encourage donations to the Forli laboratory to help support further development of the AutoDock suite of programs.

Donations may be made to:

The Scripps Research Institute
c/o Stefano Forli

and mailed to:

Stefano Forli
Department of Molecular Biology, MB-5
The Scripps Research Institute
La Jolla, CA 92037

Select the platform and/or source code.
Release 4.2.6 Notes.

AutoDock4.2.6 features improved input checking and an output format suitable for automated analysis. 
 Multiple search methods can be used in a single AutoDock4.2.6 job.
 AutoDock 4.2.6 is available for more platforms.
 The process of compiling new atomic parameter tables into AutoDock and AutoGrid is documented in the README file.
  • Windows (577K) md5sum 8dacd08691ec206060ba7e84d32a1cfa
  • Source code (35MB) md5sum  f4942c8e8c47aca7f3a2ae8794259067

Installing AutoDock

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