Fanfrlík J., Lepšík M., Horinek D., Havlas Z., Hobza P.:
Interaction of Carboranes with Biomolecules: Formation of Dihydrogen Bonds.
ChemPhysChem 7: 1100-1105, 2006.

Rulíšek L., Jensen K.P., Lundgren K., Ryde U.:
The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations.
Journal of Computational Chemistry 27 (12): 1398-1414, 2006.

Rulíšek L., Ryde U.:
Structure of reduced and oxidized manganese superoxide dismutase: A combined computational and experimental approach.
Journal of Physical Chemistry B 110 (23): 11511-11518, 2006.

Starý I., Stará I.G., Alexandrová Z., Sehnal P., Teplý F., Šaman D., Rulíšek L.:
Helicity control in the synthesis of helicenes and related compounds.
Pure and Applied Chemistry 78 (2): 495-499, 2006.

Pumera M., Rulíšek L.:
Structures of inclusion complexes of halogenbenzoic acids and alpha-cyclodextrin based on AM1 calculations.
Journal of Molecular Modeling 12 (6): 799-803, 2006.

Chalupský J., Neese F., Solomon E.I., Ryde U., Rulíšek L.:
Multireference ab initio calculations on reaction intermediates of multicopper oxidases.
Inorganic Chemistry 45 (26): 11051-11059, 2006.