Ligand discovery in dark chemical space leading to biological insights

Molecular docking is a pragmatic approach to exploit protein structure
 for novel ligand discovery. In the past few years, the number of
 molecules that can be easily docked, purchased and tested at low cost 
has grown from a few million to a few billion, enabling the discovery 
of new chemistry for new biology. This presentation will describe this 
approach and some of the freely available tools arising from our 
research. It will also show how compounds discovered using this 
approach have led to new understanding of the biology of the melatonin 
receptor and the sigma-2 receptor.