Protein-ligand complexes

Instructions for Google Colab

MUNI Google Workspace: https://it.muni.cz/en/services/google-workspace Google Colab Homepage: https://colab.research.google.com/ Google Colab Notebook for Docking Tutorial: https://colab.research.google.com/drive/1C08isusdU6gVPrBY8ezgwB_JyVL4WSxv?usp=sharing
  • Google Colab (short for Collaboratory) is a free, cloud-based Jupyter Notebook environment that allows you to write and execute Python code in your web browser. Users must have a Google account to run the Colab notebook calculations. It is recommended that you use your MUNI Google Workspace account to follow the tutorial.
  • After logging into your Google account, click on the link for the docking exercise. Follow the instructions for the tutorial in the notebook.

Molecular docking calculations

Autodock Vina Documentation: https://autodock-vina.readthedocs.io/en/latest/