Petr Jurečka

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

Refinement of the Cornell et al. Nucleic Acids Force Field Based on Reference Quantum Chemical Calculations of Glycosidic Torsion Profiles

Marie Zgarbová, Michal Otyepka, Arnošt Mládek et al. · Journal of Chemical Theory and Computation · 2011 · 1.2K citations · Full text

Understanding of Assembly Phenomena by Aromatic−Aromatic Interactions:  Benzene Dimer and the Substituted Systems

Eun‐Cheol Lee, Dong‐Wook Kim, Petr Jurečka et al. · The Journal of Physical Chemistry A · 2007 · 651 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

Refinement of the Sugar–Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA

Marie Zgarbová, Michal Otyepka, Thomas E. Cheatham et al. · Journal of Chemical Theory and Computation · 2015 · 559 citations

Engineering, Biomolecular Structure Prediction, Molecular Biology +16