2003

Rulíšek L., Šponer J.:
Using DFT methods for the prediction of the structure and energetics of metal-binding sites In metlloproteins.
International Journal of Quantum Chemistry 91 (3): 504-510, 2003.

Rulíšek L., Havlas Z.:
Outer-shell and inner-shell coordination of phosphate group to hydrated metal ions (Mg²⁺, Cu²⁺, Zn²⁺, Cd²⁺) in the presence and absence of nucleobase. The role of nonelectrostatic effects.
Journal of Physical Chemistry B 107 (8): 1913-1923, 2003.

Rulíšek L., Havlas Z.:
Theoretical studies of metal ion selectivity. 3. A theoretical design of the most specific combinations of functional groups representing amino acid side chains for the selected metal ions (Co²⁺, Ni²⁺, Cu²⁺, Zn²⁺, Cd²⁺, and Hg²⁺).
Journal of Physical Chemistry B 107 (10): 2376-2385, 2003.

Klusák V., Havlas Z., Rulíšek L., Vondrášek J., Svatoš A.:
Sexual Attraction in the Silkworm Moth: Nature of binding of bombykol in pheromone binding protein – An ab initio study.
Chemistry & Biology 10 (4): 331-340, 2003.