Molecular Docking Tutorial: AutoDock Vina | Beginners to Advanced | Pymol |Discovery Studio

In this video, I provide a comprehensive tutorial on molecular docking of ligand and protein using Autodock Vina. I cover each step in detail, from preparing files in MGL Tools to visualizing docking results in Discovery Studio and PyMOL. This tutorial is ideal for beginners and researchers looking to understand how to perform small molecule docking and analyze interactions between ligands and proteins. Follow along as I walk through the process with practical demonstrations using real datasets. Make sure to subscribe for more insights into computational biology, bioinformatics, and molecular modeling. Topics Covered: File preparation using MGL Tools Setting up and running Autodock Vina Analyzing docking results in Discovery Studio Visualizing molecular interactions in PyMOL Don’t forget to like, subscribe, and hit the notification bell for more tutorials on bioinformatics and molecular modeling! Test File Data and Commands receptor=amylase.pdbqt ligand=acarbose.pdbqt out=out.pdbqt center_x=0.887 center_y=4.459 center_z=0.796 size_x=26 size_y=26 size_z=26 exhaustiveness=8 Set 01 "C:\The Scripps Research Institute\vina\vina.exe" --config conf.txt --log log.txt "C:\The Scripps Research Institute\vina\vina_split.exe" --input out.pdbqt Set 02 "C:\Program Files (x86)\The Scripps Research Institute\Vina\vina.exe" --config conf.txt --log log.txt "C:\Program Files (x86)\The Scripps Research Institute\Vina\vina_split.exe" --input out.pdbqt