ADT

Introduction

Ligand

Grid

Docking

Run

Analyze

Table of Contents

1. Introduction: the basics.
2. Ligand: formatting the small molecule.
3. Grid: creating parameter file for AutoGrid specifying grid types, location, dimensions.
4. Docking: creating parameter file for AutoDock specifying molecules, grids, algorithm to use, etc.
5. Run: starting AutoGrid and AutoDock.
6. Analyze: visualizing results of AutoDock.

ADT

Introduction

Ligand

Grid

Docking

Run

Analyze