Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics calculations. - Petr Jurecka; Jirí Cerný; Pavel Hobza; Dennis R. Salahub (J. Comput. Chem., 2007)

Hitting time of large subsets of the hypercube. - Jirí Cerný; Véronique Gayrard (Random Struct. Algorithms, 2008)

Automatic workflow for the classification of local DNA conformations. - Petr Cech; Jaromír Kukal; Jirí Cerný; Bohdan Schneider; Daniel Svozil (BMC Bioinform., 2013)

Critical window for the vacant set left by random walk on random regular graphs. - Jirí Cerný; Augusto Teixeira (Random Struct. Algorithms, 2013)

DNATCO: assignment of DNA conformers at dnatco.org. - Jirí Cerný; Paulína Bozíková; Bohdan Schneider (Nucleic Acids Res., 2016)

Structural, Biochemical, and Computational Characterization of Sulfamides as Bimetallic Peptidase Inhibitors. - Zora Novakova; Zahra Aliakbar Tehrani; Radek Jurok; Lucia Motlova; Zsófia Kutil; Jiri Pavlicek; Shivam Shukla; Cindy J. Choy; Barbora Havlinova; Petra Baranova; Clifford E. Berkman; Martin Kuchar; et al. (J. Chem. Inf. Model., 2024)