prof. RNDr. Jiří Šponer, DrSc.

2013

• Benchmark quantum-chemical calculations on a complete set of rotameric families of the DNA sugar-phosphate backbone and their comparison with modern density functional theory

  MLÁDEK Arnošt KREPL Miroslav SVOZIL Daniel CECH Petr OTYEPKA Michal BANÁŠ Pavel ZGARBOVA Marie JURECKA Petr ŠPONER Jiří

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2013, volume: 15, edition: 19, DOI

• Bioinformatics and Molecular Dynamics Simulation Study of L1 Stalk Non-Canonical rRNA Elements: Kink-turns, Loops, and Tetraloops

  KREPL Miroslav RÉBLOVÁ Kamila KOČA Jaroslav ŠPONER Jiří

  Article in Periodical

  JOURNAL OF PHYSICAL CHEMISTRY B, year: 2013, volume: 117, edition: 18, DOI

• Computer Folding of RNA Tetraloops? Are We There Yet?

  KUHROVA Petra BANÁŠ Pavel BEST Robert B ŠPONER Jiří OTYEPKA Michal

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2013, volume: 9, edition: 4, DOI

• Conformational dynamics of the human propeller telomeric DNA quadruplex on a microsecond time scale

  ISLAM Barira SGOBBA Miriam LAUGHTON Charlie OROZCO Modesto ŠPONER Jiří NEIDLE Stephen HAIDER Shozeb

  Article in Periodical

  Nucleic Acids Research, year: 2013, volume: 41, edition: 4, DOI

• Effect of Guanine to Inosine Substitution on Stability of Canonical DNA and RNA Duplexes: Molecular Dynamics Thermodynamics Integration Study

  KREPL Miroslav OTYEPKA Michal BANÁŠ Pavel ŠPONER Jiří

  Article in Periodical

  JOURNAL OF PHYSICAL CHEMISTRY B, year: 2013, volume: 117, edition: 6, DOI

• How to understand quantum chemical computations on DNA and RNA systems? A practical guide for non-specialists

  ŠPONER Jiří ŠPONEROVÁ Judit MLÁDEK Arnošt BANÁŠ Pavel JURECKA Petr OTYEPKA Michal

  Article in Periodical

  Methods, year: 2013, volume: 64, edition: 1, DOI

• Isosteric and Nonisosteric Base Pairs in RNA Motifs: Molecular Dynamics and Bioinformatics Study of the Sarcin-Ricin Internal Loop

  HAVRILA Marek RÉBLOVÁ Kamila ZIRBEL C. LEONTIS Neocles B. ŠPONER Jiří

  Article in Periodical

  Journal of Physical Chemistry B, year: 2013, volume: 117, edition: 46, DOI

• Nature and Magnitude of Aromatic Base Stacking in DNA and RNA: Quantum Chemistry, Molecular Mechanics, and Experiment

  ŠPONER Jiří ŠPONEROVÁ Judit MLÁDEK Arnošt JURECKA Petr BANÁŠ Pavel OTYEPKA Michal

  Article in Periodical

  Biopolymers, year: 2013, volume: 99, edition: 12, DOI

• Photochemistry of 2-Aminooxazole, a Hypothetical Prebiotic Precursor of RNA Nucleotides

  SZABLA Rafal Kazimierz TUNA Deniz GORA Robert W ŠPONER Jiří SOBOLEWSKI Andrzej L DOMCKE Wolfgang

  Article in Periodical

  Journal of Physical Chemistry Letters, year: 2013, volume: 4, edition: 16, DOI

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

  ŠPONER Jiří MLÁDEK Arnošt ŠPAČKOVÁ Naděžda CANG Xiaohui H. CHEATHAM Thomas E. GRIMME Stefan

  Article in Periodical

  Journal of the American Chemical Society, year: 2013, volume: 135, edition: 26, DOI