prof. RNDr. Jiří Šponer, DrSc.

2015

• Intermediates in Folding of Human Telomeric Quadruplexes Studied by Molecular Dynamics Simulations

  STADLBAUER Petr ŠPONER Jiří

  Conference abstract

  Year: 2015, type: Conference abstract

• Microsecond-Scale MD Simulations of HIV-1 DIS Kissing-Loop Complexes Predict Bulged-In Conformation of the Bulged Bases and Reveal Interesting Differences between Available Variants of the AMBER RNA Force Fields

  HAVRILA Marek ZGARBOVÁ Marie JUREČKA Petr BANÁŠ Pavel KREPL Miroslav OTYEPKA Michal ŠPONER Jiří

  Article in Periodical

  Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 49, DOI

• Molecular dynamic simulations of protein/RNA complexes: CRISPR/Csy4 endoribonuclease

  ESTARELLAS MARTIN Carolina OTYEPKA Michal KOČA Jaroslav BANÁŠ Pavel KREPL Miroslav ŠPONER Jiří

  Article in Periodical

  BIOCHIMICA ET BIOPHYSICA ACTA-GENERAL SUBJECTS, year: 2015, volume: 1850, edition: 5, DOI

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

  KRUSE Holger MLÁDEK Arnošt GKIONIS Konstantinos HANSEN Andreas GRIMME Sstefan ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2015, volume: 11, edition: 10, DOI

• RADIKÁLOVÁ SYNTÉZA NUKLEOVÝCH BÁZÍ Z FORMAMIDU V IMPAKTNÍM PLAZMATU

  FERUS Martin KNÍŽEK Antonín ŠPONER Jiří ŠPONEROVÁ Judit CIVIŠ Svatopluk

  Article in Periodical

  CHEMICKÉ LISTY, year: 2015, volume: 109, edition: 6

• Reactive Conformation of the Active Site in the Hairpin Ribozyme Achieved by Molecular Dynamics Simulations with epsilon/zeta Force Field Reparametrizations

  MLÝNSKÝ Vojtěch KÜHROVÁ Petra ZGARBOVÁ Marie JUREČKA Petr WALTER Nils G. OTYEPKA Michal ŠPONER Jiří BANÁŠ Pavel

  Article in Periodical

  Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 11, DOI

• Refinement of the Sugar-Phosphate Backbone Torsion Beta for AMBER Force Fields Improves the Description of Z- and B-DNA

  ZGARBOVÁ M. ŠPONER Jiří OTYEPKA Michal CHEATHAM T.E. GALINDO-MURILLO R. JUREČKA P.

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2015, volume: 11, edition: 12, DOI

• Stacked and H-Bonded Cytosine Dimers. Analysis of the Intermolecular Interaction Energies by Parallel Quantum Chemistry and Polarizable Molecular Mechanics.

  GRESH Nohad ŠPONEROVÁ Judit DEVEREUX Mike GKIONIS Konstantinos COURCY DE Benoit PIQUEMAL Jean-Philip ŠPONER Jiří

  Article in Periodical

  Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 30, DOI

• Tetraloop-like Geometries Could Form the Basis of the Catalytic Activity of the Most Ancient Ribooligonucleotides

  STADLBAUER Petr ŠPONER Jiří COSTANZO Giovanna DI MAURO Ernesto PINO Samanta ŠPONEROVÁ Judit

  Article in Periodical

  Chemistry - A European Journal, year: 2015, volume: 21, edition: 9, DOI

• The role of an active site Mg2+ in HDV ribozyme self-cleavage: Insights from QM/MM calculations

  MLÝNSKÝ Vojtěch WALTER Nils G. ŠPONER Jiří OTYEPKA Michal BANÁŠ Pavel

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 1, DOI