The reaction mechanism of iron and manganese superoxide dismutases studied by theoretical calculations. - Lubomír Rulísek; Kasper P. Jensen; Kristoffer Lundgren; Ulf Ryde (J. Comput. Chem., 2006)

Evaluation of the intramolecular basis set superposition error in the calculations of larger molecules: [n]helicenes and Phe-Gly-Phe tripeptide. - Haydée Valdés; Vojtech Klusák; Michal Pitonák; Otto Exner; Ivo Starý; Pavel Hobza; Lubomír Rulísek (J. Comput. Chem., 2008)

Curvature correction for microiterative optimizations with QM/MM electronic embedding. - Tibor András Rokob; Lubomír Rulísek (J. Comput. Chem., 2012)

Macrocycle Conformational Sampling by DFT-D3/COSMO-RS Methodology. - Ondrej Gutten; Daniel Bím; Jan Rezác; Lubomír Rulísek (J. Chem. Inf. Model., 2018)