Výpis publikací

YURENKO, Yevgen; Jan NOVOTNÝ; Radek MAREK a Jiří KOZELKA. Catalytic Mechanism of Formate Dehydrogenase: Does Rotation of Formate Provide the Impetus for Surmounting the Activation Energy Barrier? ChemistrySelect. Wiley-VCH, 2024, roč. 9, č. 39, s. 1-11. ISSN 2365-6549. Dostupné z: https://doi.org/10.1002/slct.202402979.

KOZELKA, Jiří; Yevgen YURENKO; Jan NOVOTNÝ a Radek MAREK. Catalytic Mechanism of Formate Dehydrogenase: Computational Studies. In 14th EBSA Congress. 2023. ISSN 0175-7571.

KOZELKA, Jiří. Hydrolysis of chlorido complexes of d8 metals: Old models, new facts. Inorganica Chimica Acta. Lausanne: Elsevier, 2019, roč. 495, SEP 1 2019, s. 1-8. ISSN 0020-1693. Dostupné z: https://doi.org/10.1016/j.ica.2019.05.045.

YURENKO, Yevgen a Jiří KOZELKA. Monitoring the formate-NAD interaction during formate oxidation in the active site of Candida biodinii formate dehydrogenase. In Joint 12th EBSA European Biophysics Congress / 10th IUPAP International Conference on Biological Physics (ICBP). 2019. ISSN 0175-7571.

ŠPAČKOVÁ, Naděžda; Zuzana TROŠANOVÁ; F. SEBESTA; Séverine JANSEN; J.V. BURDA; Pavel SRB; Milan ZACHRDLA; Lukáš ŽÍDEK a Jiří KOZELKA. Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants. Physical Chemistry Chemical Physics. CAMBRIDGE: Royal Society of Chemistry, 2018, roč. 20, č. 18, s. 12664-12677. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/c7cp08623g.

DUREC, Matúš; Radek MAREK a Jiří KOZELKA. Water-tryptophan interactions: lone-pair-pi or O-H-pi? Molecular dynamics simulations of beta-galactosidase suggest that both modes can co-exist. Chemistry - A European Journal. Weinheim: Wiley, 2018, roč. 24, č. 22, s. 5849-5859. ISSN 0947-6539. Dostupné z: https://doi.org/10.1002/chem.201705364.

YURENKO, Yevgen; Sophia BAZZI; Radek MAREK a Jiří KOZELKA. Anion-pi interactions in flavoproteins involve a substantial charge-transfer component. Chemistry - A European Journal. Weinheim, Germany: Wiley-VCH, 2017, roč. 23, č. 14, s. 3246-3250, 6 s. ISSN 0947-6539. Dostupné z: https://doi.org/10.1002/chem.201605307.

KOZELKA, Jiří. Lone pair–pi interactions in biological systems: occurrence, function, and physical origin. European Biophysics Journal With Biophysics Letters. New York: Springer, 2017, roč. 46, č. 8, s. 729-737. ISSN 0175-7571. Dostupné z: https://doi.org/10.1007/s00249-017-1210-1.

NOVOTNÝ, Jan; Sophia BAZZI; Radek MAREK a Jiří KOZELKA. Lone-pair–pi interactions: analysis of the physical origin and biolological implications. Physical Chemistry Chemical Physics. Royal Society of Chemistry, 2016, roč. 18, č. 28, s. 19472-19481. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/C6CP01524G.

KOZELKA, Jiří. AGOSTIC AND HYDROGEN-BONDING X-H...M INTERACTIONS INVOLVING A d8 METAL CENTER: RECENT ADVANCES TOWARDS THEIR UNDERSTANDING. In Scheiner Steve. Noncovalent Forces. Cham: Springer, 2015, s. 129-158. Challenges and Advances in Computational Chemistry and Physics 19. ISBN 978-3-319-14162-6. Dostupné z: https://doi.org/10.1007/978-3-319-14163-3_6.

BADRI, Zahra; Cina FOROUTANNEJAD; Jiří KOZELKA a Radek MAREK. On the Non-Classical Contribution in Lone-Pair-pi Interaction: IQA perspective. Physical Chemistry Chemical Physics. Cambridge: Royal Society of Chemistry, 2015, roč. 17, č. 39, s. 26183-26190. ISSN 1463-9076. Dostupné z: https://doi.org/10.1039/C5CP04489H.

KOZELKA, Jiří; Matthieu HAMEL; Matthieu LECINQ a MIhaela GULEA. Ortho-(methylsulfanyl)phenylphosphonates and derivatives: Synthesis and applications as mono- or bidentate ligands for the preparation of platinum complexes. Journal of Organometallic Chemistry. Lausanne: Elsevier Science, 2013, roč. 745-746, NOV 15 2013, s. 206-213. ISSN 0022-328X. Dostupné z: https://doi.org/10.1016/j.jorganchem.2013.07.069.

KOZELKA, Jiří; Jacqueline BERGES; Isabelle FOURRE a Julien PILME. Quantum Chemical Topology Study of the Water-Platinum(II) Interaction. Inorganic Chemistry. American Chemical Society, 2013, roč. 52, č. 3, s. 1217-1227. ISSN 0020-1669. Dostupné z: https://doi.org/10.1021/ic301512c.

KOZELKA, Jiří a Jordan MONNET. Cisplatin GG-crosslinks within single-stranded DNA: Origin of the preference for left-handed helicity. Journal of Inorganic Biochemistry. Elsevier, 2012, roč. 115, č. 1, s. 106-112. ISSN 0162-0134. Dostupné z: https://doi.org/10.1016/j.jinorgbio.2012.05.015.

SUCHÁNKOVÁ, Tereza; Karel KUBÍČEK; Jana KAŠPÁRKOVÁ; Viktor BRABEC a Jiří KOZELKA. Platinum-DNA interstrand crosslinks: Molecular determinants of bending and unwinding of the double helix. Journal of Inorganic Biochemistry. New York, USA: Elsevier Science Inc, 2012, roč. 108, č. 1, s. 69-79. ISSN 0162-0134. Dostupné z: https://doi.org/10.1016/j.jinorgbio.2011.09.025.

KOZELKA, Jiří. Evaluation of dissociation constants from competition binding experiments based on the relative binding ratio. Analytical Biochemistry. San Diego: Academic Press, 2011, roč. 409, č. 1, s. 66-73. ISSN 0003-2697. Dostupné z: https://doi.org/10.1016/j.ab.2010.09.023.

ŠMIŘÁKOVÁ, Eliška; Paride PAPADIA; Fabio ARNESANO; Giovanni NATILE; Karel KUBÍČEK a Jiří KOZELKA. Using NMR spectroscopy for improvement of cisplatin-based drugs. In Instruments and methods for biology and medicine 2011. 2011. ISBN 978-80-01-04915-0.

RIZZATO, Silvia; Jacquelin BERGES; Sax A. MASON; Alberto ALBINATI a Jiří KOZELKA. Dispersion-Driven Hydrogen Bonding: Predicted Hydrogen Bond between Water and Platinum(II) Identified by Neutron Diffraction. Angewandte Chemie International Edition. Weinheim, Spolková republika Německo: Wiley-VCH Verlag GmbH & Co., 2010, roč. 49, č. 41, s. 7440-7443. ISSN 1433-7851.

KUBÍČEK, Karel; Jordan MONNET; Simone SCINTILLA; Jana KOPEČNÁ; Fabio ARNESANO; Lukáš TRANTÍREK; Claude CHOPARD; Giovanni NATILE a Jiří KOZELKA. Unusual Interstrand Pt(S,S-diaminocyclohexane)-GG Crosslink Formed by Rearrangement of a Classical Intrastrand Crosslink Within a DNA Duplex. Chemistry - An Asian Journal. WILEY-V C H VERLAG GMBH, 2010, roč. 5, č. 2, s. 244-247. ISSN 1861-4728.

TELETCHEA, Stephane; Tormod SKAUGE; Einar SLETTEN a Jiří KOZELKA. Cisplatin Adducts on a GGG Sequence within a DNA Duplex Studied by NMR Spectroscopy and Molecular Dynamics Simulations. Chemistry - A European Journal. Weinheim: WILEY-VCH Verlag GmbH & Co. KGaA, 2009, roč. 15, č. 45, s. 12320-12337. ISSN 0947-6539. Dostupné z: https://doi.org/10.1002/chem.200901158.