Supported Applications


  • Description

    a series of software tools for docking flexible ligands into receptors with selective flexibility, comprising: 1) AutoDockFR: a docking engine using the AutoDock4 forcefield; 2) AutoGridFR: a graphical user interface for setting up docking boxes; 3) AutoSite: a ligand binding site detection and characterization program.

  • Installation

    Use the following command to install this title with the CLI client: $ sbgrid-cli install mgltools2 Copy to clipboard
  • Primary Citation*

    Y. Zhao, D. Stoffler, and M. Sanner. 2006. Hierarchical and multi-resolution representation of protein flexibility. Bioinformatics. 22(22): 2768-2774.

    • *Full citation information available through