prof. Mgr. Daniel Svozil, Ph.D.

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

2012

• 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

• The DNA and RNA sugar–phosphate backbone emerges as the key player. An overview of quantum-chemical, structural biology and simulation studies

  ŠPONER Jiří MLÁDEK Arnošt ŠPONEROVÁ Judit SVOZIL Daniel ZGARBOVÁ Marie BANÁŠ Pavel JUREČKA Petr OTYEPKA Michal

  Article in Periodical

  PHYSICAL CHEMISTRY CHEMICAL PHYSICS, year: 2012, volume: 14, edition: 44, DOI

• Understanding the role of base stacking in nucleic acids. MD and QM analysis of tandem GA base pairs in RNA duplexes

  MORGADO Claudio A SVOZIL Daniel TURNER Douglas H ŠPONER Jiří

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2012, volume: 14, edition: 36, DOI

2010

• Conformational Energies of DNA Sugar Phosphate Backbone: Reference QM Calculations and a Comparison with Density Functional Theory and Molecular Mechanics

  MLÁDEK Arnošt ŠPONEROVÁ Judit JUREČKA Petr BANÁŠ Pavel OTYEPKA Michal SVOZIL Daniel ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2010, volume: 6/2010, edition: 12

2007

• Human telomeric G-DNA - a test example for force field adjustment

  FADRNÁ Eva ŠPAČKOVÁ Naděžda SVOZIL Daniel ŠPONER Jiří KOČA Jaroslav

  Article in Proceedings

  Journal Of Biomolecular Structure and Dynamics, year: 2007