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

The role and application of in silico docking in chemical genomics research.
Jongejan A, de Graaf C, Vermeulen NP, Leurs R, de Esch IJ, Methods Mol Biol, 2005 - link

Binding mode prediction of cytochrome p450 and thymidine kinase protein-ligand complexes by consideration of water and rescoring in automated docking.
de Graaf C, Pospisil P, Pos W, Folkers G, Vermeulen NP, J Med Chem, 2005 Apr 7 - link