Mining Protein-ligand Interaction Space

Providing a balanced perspective of cutting-edge contributions from academic groups as well as top pharmaceutical labs, Mining Protein-Ligand Interaction Space focuses on mining the wealth of protein-ligand interaction data to help arrive at new targets for the development of the next generation of medicines for combatting disease. Written for protein scientists, computational chemists, and medicinal chemists, the text discusses how protein-ligand databases are organized and describes the latest techniques in pocket comparisons and pocket mining. Suggestions are proposed for how to re-purpose existing medicines for new indications.