On relativistic effects in ground state potential curves of Zn2, Cd2, and Hg2 dimers. A CCSD(T) study. - Lukás Bucinský; Stanislav Biskupic; Michal Ilcin; Vladimír Lukes; Viliam Laurinc (J. Comput. Chem., 2009)

Relativistic effects in HgHe and HgXe CCSD(T) ground state potential curves. Low-density viscosity simulations of Hg: Xe mixture. - Lukás Bucinský; Stanislav Biskupic; Michal Ilcin; Vladimír Lukes; Viliam Laurinc (J. Comput. Chem., 2011)

Coordination bonding in dicopper and dichromium tetrakis(μ-acetato)-diaqua complexes: Nature, strength, length, and topology. - Michal Malcek; Barbora Vénosová; Ingrid Puskárová; Jozef Kozísek; Marián Gall; Lukás Bucinský (J. Comput. Chem., 2020)

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)

Compromise in Docking Power of Liganded Crystal Structures of Mpro SARS-CoV-2 Surpasses 90% Success Rate. - Dávid Zajacek; Adriána Dunárová; Lukás Bucinský; Marek Steklác (J. Chem. Inf. Model., 2024)