The discovery of steroids and other novel FKBP inhibitors using a molecular docking program.
Burkhard P, Hommel U, Sanner M, Walkinshaw MD, J Mol Biol, 1999 Apr 16 - link

An example of a protein ligand found by database mining: description of the docking method and its verification by a 2.3 A X-ray structure of a thrombin-ligand complex.
Burkhard P, Taylor P, Walkinshaw MD, J Mol Biol, 1998 Mar 27 - link