Early drug discovery with a pythonic streamlined zen powerful simplicity. Check it out!

Website: https://tiny.cc/XDrugPy

This is a PyMOL based graphical tool for early steps in the drug discovery chain. Novel FTMap and AutoDock Vina analyses are made possible and intuitive. Leverage the power of these softwares with ease.

XDrugPy enables FTMap hotspot identification, calculates ligand fit to hotspots, counts probes next to residue and clusters hotspots by its properties.

XDrugPy also enables docking and virtual screening using the AutoDock Vina, identifies important residues, visualizes and clusters ligands binding mode interactions.

Is an open-source software whose license is free for academic and non-commercial usage. If you intend to use XDrugPy for commercial purposes, please contact us.