Docking and scoring--theoretically easy, practically impossible?
Coupez B, Lewis RA, Curr Med Chem, 2006 - link

Lessons in molecular recognition: the effects of ligand and protein flexibility on molecular docking accuracy.
Erickson JA, Jalaie M, Robertson DH, Lewis RA, Vieth M, J Med Chem, 2004 Jan 1 - link