Introduction

AutoDock is a suite of automated docking tools. It is designed to predict how small molecules, such as substrates or drug candidates, bind to a receptor of known 3D structure. It has applications in X-ray crystallography, structure-based drug design, lead optimization, virtual screening (HTS), combinatorial library design, protein-protein docking, and chemical mechanism studies.

For more information, visit the AutoDock official website.

Programming language: C++

Brief description: A suite of automated docking tools.

Open source license: GNU General Public License