Publication Records

BAKKER, Michael J, Amina GAFFOUR, Martin JUHÁS, Vojtěch ZAPLETAL, Jakub STOŠEK, Lars A BRATHOLM and Jana PAVLÍKOVÁ PŘECECHTĚLOVÁ. Streamlining NMR Chemical Shift Predictions for Intrinsically Disordered Proteins: Design of Ensembles with Dimensionality Reduction and Clustering. Journal of Chemical Information and Modeling. 1549-960X: American Chemical Society, 2024, vol. 64, No 16, p. 6542-6556. ISSN 1549-9596. Available from: https://dx.doi.org/10.1021/acs.jcim.4c00809.

PAVLÍKOVÁ PŘECECHTĚLOVÁ, Jana, Arnošt MLÁDEK, Vojtěch ZAPLETAL and Jozef HRITZ. Quantum Chemical Calculations of NMR Chemical Shifts in Phosphorylated Intrinsically Disordered Proteins. Journal of Chemical Theory and Computation. Washington DC: American Chemical Society, 2019, vol. 15, No 10, p. 5642-5658. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/acs.jctc.8b00257.

KADEŘÁVEK, Pavel, Vojtěch ZAPLETAL, Radovan FIALA, Pavel SRB, Petr PADRTA, Jana PAVLÍKOVÁ PŘECECHTĚLOVÁ, Mária ŠOLTÉSOVÁ, Jozef KOWALEWSKI, Göran WIDMALM, Josef CHMELÍK, Vladimír SKLENÁŘ and Lukáš ŽÍDEK. Spectral density mapping at multiple magnetic fields suitable for C-13 NMR relaxation studies. Journal of Magnetic Resonance. San Diego: Academic Press Inc. Elsevier Science, 2016, vol. 266, May, p. 23-40. ISSN 1090-7807. Available from: https://dx.doi.org/10.1016/j.jmr.2016.02.016.

PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ, Juha VAARA, Jan NOVOTNÝ, Martin DRAČÍNSKÝ and Vladimír SKLENÁŘ. Toward Reproducing Sequence Trends in Phosphorus Chemical Shifts for Nucleic Acids by MD/DFT Calculations. Journal of Chemical Theory and Computation. WASHINGTON: AMER CHEMICAL SOC, 2013, vol. 9, No 3, p. 1641-1656. ISSN 1549-9618. Available from: https://dx.doi.org/10.1021/ct300488y.

PŘECECHTĚLOVÁ, Jana, Petr NOVÁK, Markéta MUNZAROVÁ, Martin KAUPP and Vladimír SKLENÁŘ. Phosphorus Chemical Shifts in a Nucleic Acid Backbone from Combined Molecular Dynamics and Density Functional Calculations. The Journal of the American Chemical Society. Washington, D.C.: American Chemical Society, 2010, vol. 132, No 48, p. 17139–17148. ISSN 0002-7863.

PŘECECHTĚLOVÁ, Jana, Petr NOVAK and Vladimír SKLENÁŘ. Calculation of 13C chemical shifts in Pseudoknot. 2008.

PRECECHTELOVA, Jana, Petr PADRTA, Marketa MUNZAROVA and Vladimír SKLENÁŘ. P-31 Chemical Shift Tensors in Nucleic Acids from the Quantum Chemistry Point of View. In 23rd NMR Valtice. 2008th ed. Brno: Masaryk University, 2008, p. 7. ISBN 978-80-86441-39-9.

PŘECECHTĚLOVÁ, Jana, Petr PADRTA, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. 31P Chemical Shift Tensors for Canonical and Non-Canonical Nucleic Acid Conformations: DFT Calculations and NMR Implications. Journal of Physical Chemistry B. American Chemical Society, 2008, vol. 112, No 11, p. 3470-3478. ISSN 1520-6106.

PRECECHTELOVA, Jana, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. Conformational Dependence of 31P Chemical Shift Tensors in Nucleic Acids. In Viral RNA: Structure, Function and Targeting. Heidelberg: EMBL Heidelberg, 2007, p. 8-8.

PŘECECHTĚLOVÁ, Jana, Petr PADRTA, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. P-31 Chemical Shift Tensors in RNA and DNA Backbone. A DFT Study of Conformational Dependence and Its Implications for NMR Studies. In 43rd Symposium on Theoretical Chemistry: Large, Non-Biological Systems. 2007.

PRECECHTELOVA, Jana, Markéta MUNZAROVÁ, Petr NOVÁK and Vladimír SKLENÁŘ. Relationships between 31P Chemical Shift Tensors and Conformation of Nucleic Acid Backbobe: A DFT Study. Journal of Physical Chemistry B. American Chemical Society, 2007, vol. 111, No 12, p. 2658-2667. ISSN 1520-6106.

PŘECECHTĚLOVÁ, Jana, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. Conformational Dependence of 31P Chemical Shift Tensors. In 42nd Symposium on Theoretical Chemistry CONFERENCE BOOK. Nemecko: Humboldt Universtaet Berlin, 2006, p. 137.

PRECECHTELOVA, Jana, Petr NOVÁK, Martin KAUPP, Markéta MUNZAROVÁ and Vladimír SKLENÁŘ. MD/DFT STUDY OF ENVIRONMENTAL EFFECTS ON 31P CHEMICAL SHIFT TENSORS IN B-DNA. Materials Structure in Chemistry, Biology, Physics and Technology. Praha, 2006, vol. 13, No 1, p. 34-34. ISSN 1211-5894.

PRECECHTELOVA, Jana, Marketa MUNZAROVA and Vladimir SKLENAR. Structural Dependence of 31P Chemical Shielding Tensors: DFT Study. Brno: Masarykova univerzita Brno, 2004, 1 pp. ISBN 80-210-3352-5.

PRECECHTELOVA, Jana, Marketa MUNZAROVA and Vladimir SKLENAR. Theoretical Study of 31P chemical shielding tensors in B-DNA. Materials Structure. Praha: The Czech and Slovak Cryst. Assoc., 2004, vol. 11, No 1, p. 36-37. ISSN 1211-5894.