This is a Jupyter notebook for running Molecular Docking using AutoDock Vina software. I encourage you to watch this tutorial before using this pipeline. The main goal of this notebook is to demonstrate how to perform molecular docking using open-source software in a cheap yet feasible fashion 🚀.
Bugs
- If you encounter any bugs, please report the issue to https://github.com/mabdelmaksoud53/VinaDock-Notebooks/issues
Author
- This notebook is created by (Mostafa S. Abd El-Maksoud)
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Introduction
- AutoDock Vina is a widely used open-source docking engine known for its speed and efficiency. It employs a straightforward scoring function and rapid gradient-based conformational search. The Forli Lab at The Scripps Research Institute maintains and develops this powerful tool.
Citation