Combining docking, molecular dynamics and the linear interaction energy method to predict binding modes and affinities for non-nucleoside inhibitors to HIV-1 reverse transcriptase.
Carlsson J, Boukharta L, Aqvist J, J Med Chem, 2008 May 8 - link

Ligand binding to the voltage-gated Kv1.5 potassium channel in the open state--docking and computer simulations of a homology model.
Ander M, Luzhkov VB, Aqvist J, Biophys J, 2008 Feb 1 - link

Exploring blocker binding to a homology model of the open hERG K+ channel using docking and molecular dynamics methods.
Osterberg F, Aqvist J, FEBS Lett, 2005 May 23 - link