The "Build evolutionary library" and "Dock Structures into Docking Cavity" subprograms included into the DataWarrior (DW) 46 (dw550win.zip for Windows) were obtained () as described at DW and our previous work . The AutoDockVina (ADV) program written in Python vs3.8 and included in the PyRx-098/PyRx-1.0 package was used as described before ()