Files related to the 2024 arums docking workshop

autodock4, autogrid4, viewerlite, notepad++ and vina windows binaries are present in the repo parent dir

docking tools

• Autodock4 source
• AutodockGpu source
• Vina source and binaries

prepration of molecules

• chemdraw8
• mgltools ( Autodock tools )

viewer and analyze

• viewerlite exe file is in the repo
• Guide to install opensource version of PyMol on windows
  • or you may just download from persian websites 🙂
• plip
• biovia discovery studio

docking automation script for autodock4.2

• Follow the instructions in this repo

recordings from my part

• main video
• pubchem structural analouges