Molecular Docking Tutorial: AutoDock Vina | Ligand Protein Dock | PyMOL | Discovery Studio | English

In this step-by-step tutorial, you’ll learn how to perform molecular docking of a ligand with a protein using AutoDock Vina. I guide you through the complete workflow — from file preparation to docking analysis and visualization of molecular interactions.

Whether you are a beginner starting molecular docking or a researcher aiming to refine your workflow, this video provides practical insights using real datasets and clear demonstrations.

Commands:

receptor=amylase.pdbqt
ligand=ligand.pdbqt

out=out.pdbqt

center_x=0.887
center_y=4.459
center_z=0.796

size_x=40
size_y=40
size_z=40

exhaustiveness=8
Set 01
"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

Set 02
"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

Видео Molecular Docking Tutorial: AutoDock Vina | Ligand Protein Dock | PyMOL | Discovery Studio | English канала Dr. H Ismail