prof. RNDr. Jiří Šponer, DrSc.

2019

• Prebiotic synthesis initiated in formaldehyde by laser plasma simulating high-velocity impacts

  FERUS M. PIETRUCCI F. SAITTA A.M. IVANEK O. KNIZEK A. KUBELIK P. KRUS M. JUHA L. DUDZAK R. DOSTAL J. PASTOREK A. PETERA L. HRNCIROVA J. SAEIDFIROZEH H. SHESTIVSKA V. ŠPONER Jiří SPONER J.E. RIMMER P. CIVIS S. CASSONE G.

  Article in Periodical

  ASTRONOMY & ASTROPHYSICS, year: 2019, volume: 626, edition: JUN, DOI

• QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods.

  POKORNÁ Pavlína KREPL Miroslav ŠPONER Jiří MRÁZIKOVÁ Klaudia MLYNSKY Vojech KRUSE Holger

  Conference abstract

  Year: 2019, type: Conference abstract

• Revisiting the Potential Energy Surface of the Stacked Cytosine Dimer: FNO-CCSD(T) Interaction Energies, SAPT Decompositions, and Benchmarking

  KRUSE H. ŠPONER Jiří

  Article in Periodical

  Journal of Physical Chemistry A, year: 2019, volume: 123, edition: 42, DOI

• Role of Fine Structural Dynamics in Recognition of Histone H3 by HP1 gamma(CSD) Dimer and Ability of Force Fields to Describe Their Interaction Network

  POKORNÁ Pavlína KREPL Miroslav BARTOVA E. ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2019, volume: 15, edition: 10, DOI

2018

• QM/MM Calculations on Protein-RNA Complexes: Understanding Limitations of Classical MD Simulations and Search for Reliable Cost-Effective QM Methods

  POKORNÁ Pavlína KRUSE Holger KREPL Miroslav ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2018, volume: 14, edition: 10, DOI

2017

• A prebiotically plausible synthesis of pyrimidine beta-ribonucleosides and their phosphate derivatives involving photoanomerization

  XU Jianfeng TSANAKOPOULOU Maria MAGNANI Christopher J. SZABLA Rafal ŠPONEROVÁ Judit ŠPONER Jiří GORA Robert W. SUTHERLAND John D.

  Article in Periodical

  Nature chemistry, year: 2017, volume: 9, edition: 4, DOI

• Aromatic side-chain conformational switch on the surface of the RNA Recognition Motif enables RNA discrimination

  DIARRA DIT KONTÉ Nana KREPL Miroslav DAMBERGER Fred RIPPIN N DUSS O ŠPONER Jiří FRÉDÉRIC Allain

  Article in Periodical

  NATURE COMMUNICATIONS, year: 2017, volume: 8, DOI

• Coordination between the polymerase and RNase H activity of HIV-1 reverse transcriptase

  FIGIEL M KREPL Miroslav POZNANSKI J GOTAB A ŠPONER Jiří NOWOTNY Marcin

  Article in Periodical

  Nucleic Acids Research, year: 2017, volume: 45, edition: 6, DOI

• Effect of Monovalent Ion Parameters on Molecular Dynamics Simulations of G-Quadruplexes

  HAVRILA Marek STADLBAUER P. ISLAM B. OTYEPKA M. ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2017, volume: 13, edition: 8, DOI

• Exploring the Dynamics of Propeller Loops in Human Telomeric DNA Quadruplexes Using Atomistic Simulations

  ISLAM Barira STADLBAUER Petr GIL-LEY Alejandro PEREZ-HERNANDEZ Guillermo HAIDER Shozeb NEIDLE Stephen BUSSI Giovanni BANAS Pavel OTYEPKA Michal ŠPONER Jiří

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2017, DOI