Created by Dr Bruce F. Milne, University of Aberdeen.
Introduction
This course is designed to give you an introduction to both the theory and practice of computational protein-ligand docking simulation.
As the material is aimed at individuals who want to use protein-ligand docking in their own research, it is assumed that you are already familiar with the basic concepts of the interaction of drug-like molecules with proteins and want to learn how to simulate this process computationally. We will therefore not go into the fundamental theories of protein-ligand interactions here but will move straight to the computational chemistry side of things.