The ACE, GPB, THER and THR sets were not compiled by us.  Please acknowledge the original
authors by citing their work in addition to this article.

ACE:

Depriest, S. A.; Mayer, D.; Naylor, C. B.; Marshall, G. R. 3D-QSAR of angiotensin-converting 
enzyme and thermolysin inhibitors - a comparison of CoMFA models based on deduced and 
experimentally determined active-site geometries. J. Am. Chem. Soc. 1993, 115, 5372-5384.

GPB and THER:

Gohlke, H.; Klebe, G. Drugscore meets CoMFA: Adaptation of fields for molecular comparison 
(AFMoC) or how to tailor knowledge-based pair-potentials to a particular protein. J. Med. Chem. 
2002, 45, 4153-4170.

THR:

Bohm, M.; Sturzebecher, J.; Klebe, G. Three-dimensional quantitative structure-activity 
relationship analyses using comparative molecular field analysis and comparative molecular 
similarity indices analysis to elucidate selectivity differences of inhibitors binding to trypsin, 
thrombin, and factor Xa. J. Med. Chem. 1999, 42, 458-477.