🧬 DockingVina: Protein-Ligand Docking in Google Colab

This repository contains a Google Colab-compatible notebook for performing protein-ligand docking using AutoDock Vina. It is designed to work in the cloud and requires no local installation. It enables simple, reproducible, and portable molecular docking workflows for non-expert users.

🔍 What it does

Downloads receptor PDB files and ligand files

Prepares input files using Open Babel and MGLTools scripts

Defines a docking box using either:

Coordinates based on a known binding site

Automatic pocket detection (P2Rank)