Steering protein-ligand docking with quantitative NMR chemical shift perturbations.
Gonzalez-Ruiz D, Gohlke H, J Chem Inf Model, 2009 Oct - link

Elastic potential grids: accurate and efficient representation of intermolecular interactions for fully flexible docking.
Kazemi S, Kruger DM, Sirockin F, Gohlke H, ChemMedChem, 2009 Aug - link

Improving binding mode predictions by docking into protein-specifically adapted potential fields.
Radestock S, Bohm M, Gohlke H, J Med Chem, 2005 Aug 25 - link

Docking into knowledge-based potential fields: a comparative evaluation of DrugScore.
Sotriffer CA, Gohlke H, Klebe G, J Med Chem, 2002 May 9 - link