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)

MOLCAS 7: The Next Generation. - Francesco Aquilante; Luca De Vico; Nicolas Ferré; Giovanni Ghigo; Per-Åke Malmqvist; Pavel Neogrády; Thomas Bondo Pedersen; Michal Pitonák; Markus Reiher; Björn Roos; Luis Serrano-Andrés; Miroslav Urban; et al. (J. Comput. Chem., 2010)

Performance Evaluation of an Algorithm-based Asynchronous Checkpoint-Restart Fault Tolerant Application Using Mixed MPI/GPI-2. - Adrian Bazaga; Michal Pitonák (CoRR, 2018)

Machine learning prediction of 3CLpro SARS-CoV-2 docking scores. - Lukás Bucinský; Dusan Bortnák; Marián Gall; Ján Matúska; Viktor Milata; Michal Pitonák; Marek Steklác; Daniel Végh; Dávid Zajacek (Comput. Biol. Chem., 2022)