Role of Water in Molecular Docking Simulations of Cytochrome P450 2D6.
Santos R, Hritz J, Oostenbrink C, J Chem Inf Model, 2009 Nov 9 - link

Impact of plasticity and flexibility on docking results for cytochrome P450 2D6: a combined approach of molecular dynamics and ligand docking.
Hritz J, de Ruiter A, Oostenbrink C, J Med Chem, 2008 Dec 11 - link

Catalytic site prediction and virtual screening of cytochrome P450 2D6 substrates by consideration of water and rescoring in automated docking.
de Graaf C, Oostenbrink C, Keizers PH, van der Wijst T, Jongejan A, Vermeulen NP, J Med Chem, 2006 Apr 20 - link