Molecular Docking with AutoDock VINA - Script-Based Method for Multiple Ligands

Learn how to perform molecular docking using AutoDock VINA in this comprehensive tutorial. Explore virtual screening techniques to identify potential lead compounds from large libraries of small molecules. Discover the process of docking ligands into protein binding sites, calculating binding energies, and ranking compounds based on their predicted interactions. Master the use of tools like MGL Tools, AutoDock Vina, and OpenBabel for preparing and executing docking simulations. Gain insights into post-processing techniques to filter and prioritize promising compounds for further experimental testing. Follow step-by-step instructions on installing necessary software, retrieving ligand molecules, downloading crystal structures, building models, and preparing files for docking analysis.

Introduction
Installation
Retrieve Ligand Molecule
Download Crystal Structure
Build Model
Preparation