PyPLIF HIPPOS: A Molecular Interaction Fingerprinting Tool for Docking Results of AutoDock Vina and PLANTS

J Chem Inf Model. 2020 Aug 24;60(8):3697-3702. doi: 10.1021/acs.jcim.0c00305. Epub 2020 Aug 4.


We describe here our tool named PyPLIF HIPPOS, which was newly developed to analyze the docking results of AutoDock Vina and PLANTS. Its predecessor, PyPLIF (, is a molecular interaction fingerprinting tool for the docking results of PLANTS, exclusively. Unlike its predecessor, PyPLIF HIPPOS speeds up the computational times by separating the reference generation and docking analysis. PyPLIF HIPPOS also offers more options compared to PyPLIF. PyPLIF HIPPOS for Linux is stored as the Supporting Information in this application note and can be accessed in GitHub ( Additionally, we present here the application of the tool in a retrospective structure-based virtual screening campaign targeting neuraminidase.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Ligands*
  • Molecular Docking Simulation
  • Retrospective Studies


  • Ligands