Insights into the anthrax lethal factor-substrate interaction and selectivity using docking and molecular dynamics simulations.
Dalkas GA, Papakyriakou A, Vlamis-Gardikas A, Spyroulias GA, Protein Sci, 2009 Aug - link

Pyrrolo[2,3-a]carbazoles as potential cyclin dependent kinase 1 (CDK1) Inhibitors. Synthesis, biological evaluation, and binding mode through docking simulations.
Fousteris MA, Papakyriakou A, Koutsourea A, Manioudaki M, Lampropoulou E, Papadimitriou E, Spyroulias GA, Nikolaropoulos SS, J Med Chem, 2008 Feb 28 - link