ABSTRACT
GOLD (Genetic Optimization for Ligand Docking) is a program for docking flexible ligands into protein binding sites [1,2]. It was originally written by Jones at the University of Sheffield, England. Since its release in 1998, it has been distributed, maintained, and improved by the Cambridge Crystallographic Data Centre (CCDC). Two other companies, Astex Technology, Ltd. and GlaxoSmithKline PLC, have contributed significantly to the program’s development. This chapter describes the current version of GOLD (version 2.1). Although the focus is unashamedly on that program, much of the discussion is relevant to docking and virtual screening (VS) in general.
