NOTE: this website is getting phased out and we strongly recommend downloading software from our new website and update your bookmarks.

     This web page is the home for a series of software tools pertaining to docking flexible ligands into receptors with selective flexibility


NOTE: it has been reported that ADBlock on chromium blocks most images on this site. If you do not see the logo sayiong "AutoDock and Receptor Flexibility" at the top of this page, please disable your ADBlock until we figure out what is causing this.


LICENSE: Th software on this web site is part of the the MGLTools2 software suite, released under the LGPL OpenSource software license.

These tools include:

  • NEWS: (06/06/2016) our paper: "AutoSite: an automated approach for pseudo-ligands prediction – From ligand binding sites identification to predicting key ligand atoms" has been accepted for publication in Bioinformaics.

    AutoDockFR: a docking engine using the AutoDock4 forcefield

  • AutoGridFR: a graphical user interface for setting up docking boxes

  • AutoSite: a ligand binding site detection and characterization program

  • Copyright  Sanner Laboratory and TSRI 2016