prof. RNDr. Jiří Šponer, DrSc.

2015

• 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

• Towards biochemically relevant QM computations on nucleic acids: controlled electronic structure geometry optimization of nucleic acid structural motifs using penalty restraint functions

  KRUSE Holger ŠPONER Jiří

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 2, DOI

• Untemplated Nonenzymatic Polymerization of 3 ',5 ' cGMP: A Plausible Route to 3 ',5 '-Linked Oligonucleotides in Primordia

  ŠPONEROVÁ Judit ŠPONER Jiří GIORGI Alessandra DI MAURO Ernesto PINO Samanta COSTANZO Giovanna

  Article in Periodical

  Journal of Physical Chemistry B, year: 2015, volume: 119, edition: 7, DOI

• Wobble pairs of the HDV ribozyme play specific roles in stabilization of active site dynamics

  SRIPATHI Kamali N. BANÁŠ Pavel RÉBLOVÁ Kamila ŠPONER Jiří OTYEPKA Michal WALTER Nils G.

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 8, DOI

2014

• Are Waters around RNA More than Just a Solvent? - An Insight from Molecular Dynamics Simulations

  KUEHROVA Petra OTYEPKA Michal ŠPONER Jiří BANÁŠ Pavel

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2014, volume: 10, edition: 1, DOI