Arnošt Mládek

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

Natural Sciences, Biochemistry, Biophysics +17

Nature and magnitude of aromatic base stacking in DNA and RNA: Quantum chemistry, molecular mechanics, and experiment

Judit E. Šponer, Judit E. Šponer, Arnošt Mládek et al. · Biopolymers · 2013 · 133 citations

Natural Sciences, Biophysics, Chemistry +17

Relative Stability of Different DNA Guanine Quadruplex Stem Topologies Derived Using Large-Scale Quantum-Chemical Computations

Arnošt Mládek, Nad’a Špačková, Xiaohui Cang et al. · Journal of the American Chemical Society · 2013 · 114 citations · Full text

Natural Sciences, Chemistry, Physics +17

Quantum Chemical Benchmark Study on 46 RNA Backbone Families Using a Dinucleotide Unit

Holger Kruse, Arnošt Mládek, Konstantinos Gkionis et al. · Journal of Chemical Theory and Computation · 2015 · 112 citations

Life Sciences, Bioinformatics, Biophysics +17

Ion Binding to Quadruplex DNA Stems. Comparison of MM and QM Descriptions Reveals Sizable Polarization Effects Not Included in Contemporary Simulations

Konstantinos Gkionis, Holger Kruse, James A. Platts et al. · Journal of Chemical Theory and Computation · 2014 · 90 citations

Natural Sciences, Biophysics, Physics +17