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

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 · 113 citations · Full text

Dna Nanotechnology, Natural Sciences, Dna Replication +12

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 · 111 citations

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 · 89 citations

Molecular Mechanical, Dna Analysis, Molecular Biology +18

Can We Accurately Describe the Structure of Adenine Tracts in B-DNA? Reference Quantum-Chemical Computations Reveal Overstabilization of Stacking by Molecular Mechanics

Pavel Banáš, Arnošt Mládek, Michal Otyepka et al. · Journal of Chemical Theory and Computation · 2012 · 76 citations

Adenine Tracts, Molecular Mechanics, Protein Folding +14