Jiří Černý

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

Petr Jurečka, Jiří Černý, Pavel Hobza · Physical Chemistry Chemical Physics · 2006 · 1.8K citations

Density functional theory augmented with an empirical dispersion term. Interaction energies and geometries of 80 noncovalent complexes compared with <i>ab initio</i> quantum mechanics calculations

Petr Jurečka, Jiří Černý, Pavel Hobza et al. · Journal of Computational Chemistry · 2006 · 640 citations

Scaled MP3 Non‐Covalent Interaction Energies Agree Closely with Accurate CCSD(T) Benchmark Data

Michal Pitoňák, Pavel Neogrády, Jiří Černý et al. · ChemPhysChem · 2008 · 258 citations

Mitochondrial Targeting of Vitamin E Succinate Enhances Its Pro-apoptotic and Anti-cancer Activity via Mitochondrial Complex II

Lan‐Feng Dong, Victoria J.A. Jameson, David Tilly et al. · Journal of Biological Chemistry · 2010 · 200 citations · Full text

On the Structure and Geometry of Biomolecular Binding Motifs (Hydrogen-Bonding, Stacking, X−H···π): WFT and DFT Calculations

Kevin E. Riley, Michal Pitoňák, Jiří Černý et al. · Journal of Chemical Theory and Computation · 2009 · 177 citations