ADL: New resources available: Hydrated Docking and AutoDockZN forcefields

Stefano Forli forli at
Fri Jan 23 11:58:18 PST 2015

Hi all,

we updated the Autodock Resources page:
to include the new extensions we developed for the AutoDock forcefield.

"A Force Field with Discrete Displaceable Waters and Desolvation Entropy for Hydrated
Ligand Docking"

A method for predicting water contributions to docking of small molecules.

"AutoDock4Zn: An Improved AutoDock Force Field for Small-Molecule Docking to Zinc 

An extension of the AutoDock forcefield with explicit parameters for zinc coordination 
geometry and interaction.

Pages include documentation, scripts and example files.
Happy dockings,


  Stefano Forli, PhD

  Staff Scientist
  Molecular Graphics Laboratory
  Dept. of Integrative Structural
   and Computational Biology, MB-112F
  The Scripps Research Institute
  10550  North Torrey Pines Road
  La Jolla,  CA 92037-1000,  USA.

     tel: +1 (858)784-2055
     fax: +1 (858)784-2860
     email: forli at

More information about the autodock mailing list