prof. RNDr. Jiří Šponer, DrSc.

2013

• Theoretical studies of the mechanism of 2-aminooxazole formation under prebiotically plausible conditions

  SZABLA Rafal Kazimierz ŠPONEROVÁ Judit ŠPONER Jiří GORA Robert W.

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2013, volume: 15, edition: 20, DOI

• Toward Improved Description of DNA Backbone: Revisiting Epsilon and Zeta Torsion Force Field Parameters

  ZGARBOVA Marie LUQUE Javier F. ŠPONER Jiří CHEATHAM Thomas E III OTYEPKA Michal JUREČKA Petr

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2013, volume: 9, edition: 5, DOI

2012

• A Novel Approach for Deriving Force Field Torsion Angle Parameters Accounting for Conformation-Dependent Solvation Effects

  ZGARBOVÁ Marie JAVIER LUQUE F. ŠPONER Jiří OTYEPKA Michal JUREČKA Petr

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2012, volume: 8, edition: 9, DOI

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

  BANÁŠ Pavel MLÁDEK Arnošt OTYEPKA Michal ZGARBOVA Marie JURECKA Petr SVOZIL Daniel LANKAŠ Filip ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2012, volume: 8, edition: 7, DOI

• Comment on "Computational Model for Predicting Experimental RNA and DNA Nearest-Neighbor Free Energy Rankings"

  ŠPONER Jiří MORGADO Claudio A SVOZIL Daniel

  Article in Periodical

  Journal of Physical Chemistry B, year: 2012, volume: 116, edition: 28, DOI

• Formamide-Based Prebiotic Synthesis of Nucleobases: A Kinetically Accessible Reaction Route

  ŠPONEROVÁ Judit MLÁDEK Arnošt ŠPONER Jiří FUENTES-CABRERA Miguel

  Article in Periodical

  The Journal of Physical Chemistry A, year: 2012, volume: 116, edition: 1, DOI

• How does hydroxyl introduction influence the double helical structure: the stabilization of an altritol nucleic acid: ribonucleic acid duplex

  OVAERE Margriet ŠPONER Jiří ŠPONEROVÁ Judit HERDEWIJN Piet VAN MEERVELT Luc

  Article in Periodical

  Nucleic Acids Research, year: 2012, volume: 40, edition: 15, DOI

• Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment

  FONVILLE Judith M SWART Marcel VOKACOVA Zuzana SYCHROVSKY Vladimir ŠPONEROVÁ Judit ŠPONER Jiří HILBERS Cornelis W BICKELHAUPT F Matthias WIJMENGA Sybren S

  Article in Periodical

  Chemistry - A European Journal, year: 2012, volume: 18, edition: 39, DOI

• Is formamide nature’s choice to create life? Comment on the paper “Formamide and the origin of life” by Raffaele Saladino et al.

  ŠPONEROVÁ Judit ŠPONER Jiří

  Article in Periodical

  PHYSICS OF LIFE REVIEWS, year: 2012, volume: 9, edition: 1, DOI

• Molecular dynamics simulations of G-DNA and perspectives on the simulation of nucleic acid structures

  ŠPONER Jiří CANG Xiaohui CHEATHAM Thomas E

  Article in Periodical

  Methods, year: 2012, volume: 57, edition: 1, DOI