| Abstrak/Abstract |
We describe here our tool called HIPPOS, a recursive acronym of HIPPOS Is PyPLIF On Steroids, which was newly developed to analyze the docking results of Autodock VINA and PLANTS. Its predecessor, PyPLIF (https://github.com/radifar/pyplif), is a molecular interaction fingerprinting tool for the docking results of PLANTS, exclusively. Unlike PyPLIF, HIPPOS speeds up the computational times by separating the reference generation and docking analysis. HIPPOS provides two output options, i.e., the PyPLIF bitstring and the simplified one. Instead of only Tanimoto coefficient for the similarity index of the interaction bitstrings, HIPPOS provides also McConnaughey coefficient. HIPPOS offers more options with less computational cost compared to PyPLIF. HIPPOS for Linux was stored as the supplementary file in this article. Additionally, we present here the application of HIPPOS in a retrospective structure-based virtual screening campaign targeting neuraminidase. |
