| Benchmark database of accurate (MP2 and CCSD (T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs P Jurečka, J Šponer, J Černý, P Hobza Physical Chemistry Chemical Physics 8 (17), 1985-1993, 2006 | 2022 | 2006 |
| Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with ab initio quantum mechanics … P Jurečka, J Černý, P Hobza, DR Salahub Journal of computational chemistry 28 (2), 555-569, 2007 | 785 | 2007 |
| Non-covalent interactions in biomacromolecules J Černý, P Hobza Physical Chemistry Chemical Physics 9 (39), 5291-5303, 2007 | 516 | 2007 |
| Structure, function, and pharmacology of NMDA receptor channels V Vyklicky, M Korinek, T Smejkalova, A Balik, B Krausova, M Kaniakova, ... Physiological research 63, S191, 2014 | 368 | 2014 |
| Scaled MP3 non‐covalent interaction energies agree closely with accurate CCSD (T) benchmark data M Pitoňák, P Neogrády, J Černý, S Grimme, P Hobza ChemPhysChem 10 (1), 282-289, 2009 | 274 | 2009 |
| Mitochondrial targeting of vitamin E succinate enhances its pro-apoptotic and anti-cancer activity via mitochondrial complex II LF Dong, VJA Jameson, D Tilly, J Cerny, E Mahdavian, ... Journal of Biological Chemistry 286 (5), 3717-3728, 2011 | 230 | 2011 |
| On the structure and geometry of biomolecular binding motifs (hydrogen-bonding, stacking, X− H··· π): WFT and DFT calculations KE Riley, M Pitonak, J Cerny, P Hobza Journal of chemical theory and computation 6 (1), 66-80, 2010 | 195 | 2010 |
| Quantum chemical benchmark energy and geometry database for molecular clusters and complex molecular systems (www. begdb. com): a users manual and examples J Řezáč, P Jurečka, KE Riley, J Černý, H Valdes, K Pluháčková, K Berka, ... Collection of Czechoslovak Chemical Communications 73 (10), 1261-1270, 2008 | 162 | 2008 |
| The X3LYP extended density functional accurately describes H-bonding but fails completely for stacking J Černý, P Hobza Physical Chemistry Chemical Physics 7 (8), 1624-1626, 2005 | 160 | 2005 |
| Toward designed singlet fission: electronic states and photophysics of 1, 3-diphenylisobenzofuran AF Schwerin, JC Johnson, MB Smith, P Sreearunothai, D Popovic, ... The Journal of Physical Chemistry A 114 (3), 1457-1473, 2010 | 113 | 2010 |
| Selective Disruption of Respiratory Supercomplexes as a New Strategy to Suppress Her2high Breast Cancer K Rohlenova, K Sachaphibulkij, J Stursa, A Bezawork-Geleta, J Blecha, ... Antioxidants & redox signaling 26 (2), 84-103, 2017 | 109 | 2017 |
| Double-helical→ ladder structural transition in the B-DNA is induced by a loss of dispersion energy J Cerny, M Kabelác, P Hobza Journal of the American Chemical Society 130 (47), 16055-16059, 2008 | 105 | 2008 |
| Protein flexibility in the light of structural alphabets P Craveur, AP Joseph, J Esque, TJR Narwani, F Noël, N Shinada, ... Frontiers in molecular biosciences 2, 20, 2015 | 87 | 2015 |
| Resolution of identity density functional theory augmented with an empirical dispersion term (RI-DFT-D): a promising tool for studying isolated small peptides J Černý, P Jurecˇka, P Hobza, H Valdes The Journal of Physical Chemistry A 111 (6), 1146-1154, 2007 | 80 | 2007 |
| Bordetella adenylate cyclase toxin is a unique ligand of the integrin complement receptor 3 R Osicka, A Osickova, S Hasan, L Bumba, J Cerny, P Sebo Elife 4, e10766, 2015 | 79 | 2015 |
| Ubiquinone-binding site mutagenesis reveals the role of mitochondrial complex II in cell death initiation K Kluckova, M Sticha, J Cerny, T Mracek, L Dong, Z Drahota, E Gottlieb, ... Cell death & disease 6 (5), e1749-e1749, 2015 | 72 | 2015 |
| Mitochondrial targeting of metformin enhances its activity against pancreatic cancer S Boukalova, J Stursa, L Werner, Z Ezrova, J Cerny, A Bezawork-Geleta, ... Molecular cancer therapeutics 15 (12), 2875-2886, 2016 | 67 | 2016 |
| Block of NMDA receptor channels by endogenous neurosteroids: implications for the agonist induced conformational states of the channel vestibule V Vyklicky, B Krausova, J Cerny, A Balik, M Zapotocky, M Novotny, ... Scientific reports 5 (1), 10935, 2015 | 60 | 2015 |
| Surface expression, function, and pharmacology of disease-associated mutations in the membrane domain of the human GluN2B subunit V Vyklicky, B Krausova, J Cerny, M Ladislav, T Smejkalova, B Kysilov, ... Frontiers in molecular neuroscience 11, 110, 2018 | 55 | 2018 |
| Local dynamics of proteins and DNA evaluated from crystallographic B factors B Schneider, JC Gelly, AG de Brevern, J Černý Acta Crystallographica Section D: Biological Crystallography 70 (9), 2413-2419, 2014 | 55 | 2014 |
