A QXP-based multistep docking procedure for accurate prediction of protein-ligand complexes.
Alisaraie L, Haller LA, Fels G, J Chem Inf Model, 2006 May-Jun - link

Molecular docking study on the "back door" hypothesis for product clearance in acetylcholinesterase.
Alisaraie L, Fels G, J Mol Model, 2006 Feb - link

Accurate prediction of the bound conformation of galanthamine in the active site of Torpedo californica acetylcholinesterase using molecular docking.
Pilger C, Bartolucci C, Lamba D, Tropsha A, Fels G, J Mol Graph Model, 2001 - link