prof. RNDr. Jiří Šponer, DrSc.

2014

• muABC: a systematic microsecond molecular dynamics study of tetranucleotide sequence effects in B-DNA

  PASI Marco MADDOCKS John H. BEVERIDGE David BISHOP Thomas C. CASE David A. CHEATHAM III. Thomas DANS Pablo D. JAYARAM B. LANKAŠ Filip LAUGHTON Charles MITCHELL Jonathan OSMAN Roman OROZCO Modesto PÉREZ Alberto PETKEVIČIÜTÉ Daiva ŠPAČKOVÁ Naďa ŠPONER Jiří ZAKRZEWSKA Krystyna LAVERY Richard

  Article in Periodical

  Nucleic Acids Research, year: 2014, volume: 42, edition: 19, DOI

• QM Computations on Complete Nucleic Acids Building Blocks: Analysis of the Sarcin-Ricin RNA Motif Using DFT-D3, HF-3c, PM6-D3H, and MM Approaches

  KRUSE Holger HAVRILA Marek ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2014, volume: 10, edition: 6, DOI

• Role of S-turn2 in the Structure, Dynamics, and Function of Mitochondrial Ribosomal A-Site. A Bioinformatics and Molecular Dynamics Simulation Study

  PANECKA Joanna HAVRILA Marek RÉBLOVÁ Kamila ŠPONER Jiří TRYLSKA Joanna

  Article in Periodical

  Journal of Physical Chemistry B, year: 2014, volume: 118, edition: 24, DOI

• Room temperature spontaneous conversion of OCS to CO2 on the anatase TiO2 surface

  CIVIŠ Svatopluk FERUS Martin ŠPONEROVÁ Judit ŠPONER Jiří KAVAN Ladislav ZUKALOVÁ Markéta

  Article in Periodical

  Chemical Communications, year: 2014, volume: 50, edition: 57, DOI

• Solvent effects on the photochemistry of 4-aminoimidazole-5-carbonitrile, a prebiotically plausible precursor of purines

  SZABLA Rafal Kazimierz ŠPONEROVÁ Judit ŠPONER Jiří SOBOLEWSKI Andrzej GÓRA Robert W.

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2014, volume: 16, edition: 33, DOI

• Triplex intermediates in folding of human telomeric quadruplexes probed by microsecond-scale molecular dynamics simulations

  STADLBAUER Petr TRANTÍREK Lukáš CHEATHAM III. Thomas E. KOČA Jaroslav ŠPONER Jiří

  Article in Periodical

  Biochimie, year: 2014, volume: 105c, edition: October, DOI

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