AutoDockZN forcefield | AutoDock

NOTE: This tutorial is obsolete. AutoDockZN is now compatible with AutoDock Vina since v.1.2.0. The updated tutorials are available here.

The AutoDockZN extended the AutoDock force field to include a specialized potential describing the interactions of zinc-coordinating ligands. This potential describes both the energetic and geometric components of the interaction.  This webpage provides code, documentation and examples  to perform docking simulations
with the AutoDock4Zn forcefield described in the paper:

AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins Santos-Martins, D., Forli, S., João Ramos, M., Olson, A., J. J.Chem.Info.Mod. 2014.

NOTE: The code has been now integrated in AutoDock Vina since v.1.2.0.

For questions and help, please use the AutoDock mailing list


AutoDockZN user guide (1566 downloads)


AutoDockZN files and tutorials (1569 downloads)