Tutorial Molecular Docking Using Autodock Vina in Google Colab

1. Video Tutorial: https://youtu.be/gM_D5TUGIWQ
2. Vina running in google colab:https://github.com/purnawanpp/Vina_google_colab/blob/main/Vina_4ieh_Google_colab.ipynb just download it.
3. Open file Vina_4ieh_Google_colab.ipynb in google colab

Prepare your protein and ligand

Please read this tutorial to get protein and ligand with format .pdbqt file "https://autodock.scripps.edu/wp-content/uploads/sites/56/2021/10/AutoDock4.2.6_UserGuide.pdf"

To get grid box "grid.txt"

Please read this method https://github.com/purnawanpp/Docking-4ieh

Upload your file

1. Upload your file 'grid.txt' and protein format ".pdbqt" and ligand format ".pdbqt in google colab"
2. Please read https://github.com/purnawanpp/Vina_google_colab/blob/main/grid.txt to get the code