Drug efficiency indices for improvement of molecular docking scoring functions.
Garcia-Sosa AT, Hetenyi C, Maran U, J Comput Chem, 2009 May 6 - link

Blind docking of drug-sized compounds to proteins with up to a thousand residues.
Hetenyi C, van der Spoel D, FEBS Lett, 2006 Feb 20 - link

A comprehensive docking study on the selectivity of binding of aromatic compounds to proteins.
Hetenyi C, Maran U, Karelson M, J Chem Inf Comput Sci, 2003 Sep-Oct - link

Efficient docking of peptides to proteins without prior knowledge of the binding site.
Hetenyi C, van der Spoel D, Protein Sci, 2002 Jul - link