prof. RNDr. Radek Marek, Ph.D.

2018

• Relativistic Spin-Orbit Heavy Atom on the Light Atom NMR Chemical Shifts: General Trends Across the Periodic Table Explained

  VÍCHA Jan KOMOROVSKY Stanislav REPISKY Michal MAREK Radek STRAKA Michal

  Article in Periodical

  Journal of Chemical Theory and Computation, year: 2018, volume: 14, edition: 6, DOI

• Ruthenium Anticancer Drugs and Macromolecular Drug Carriers: Prediction of Binding

  DURNÍK Ivo KULHÁNEK Petr MAREK Radek

  Conference abstract

  Year: 2018, type: Conference abstract

• Through-Space Paramagnetic NMR Effects in Host-Guest Complexes: Potential Ruthenium(III) Metallodrugs with Macrocyclic Carriers

  CHYBA Jan NOVÁK Martin MUNZAROVÁ Petra NOVOTNÝ Jan MAREK Radek

  Article in Periodical

  Inorganic Chemistry, year: 2018, volume: 57, edition: 15, DOI

• Water-tryptophan interactions: lone-pair-pi or O-H-pi? Molecular dynamics simulations of beta-galactosidase suggest that both modes can co-exist

  DUREC Matúš MAREK Radek KOZELKA Jiří

  Article in Periodical

  Chemistry - A European Journal, year: 2018, volume: 24, edition: 22, DOI

2017

• Anion-pi interactions in flavoproteins involve a substantial charge-transfer component

  YURENKO Yevgen BAZZI Sophia MAREK Radek KOZELKA Jiří

  Article in Periodical

  Chemistry - A European Journal, year: 2017, volume: 23, edition: 14, DOI

• Anti-Electrostatic CH-Ion Bonding in Decorated Graphanes

  NOVÁK Martin MAREK Radek FOROUTANNEJAD Cina

  Article in Periodical

  Chemistry - A European Journal, year: 2017, volume: 23, edition: 59, DOI

• CALCULATION OF 195Pt CHEMICAL SHIFTS IN Pt(II) COMPLEXES

  WAWROCKA Karolina DUREC Matúš MAREK Radek

  Conference abstract

  Year: 2017, type: Conference abstract

• Determination of the orbital and paramagnetic contributions to the 1H and 13C NMR chemical shifts of ruthenium(III) complexes

  JEREMIAS Lukáš NOVOTNÝ Jan REPISKY Michal KOMOROVSKY Stanislav MAREK Radek

  Appeared in Conference without Proceedings

  Year: 2017, type: Appeared in Conference without Proceedings

• INTERPRETING THE NMR SPECTRA OF PARAMAGNETIC Ru(III) METALLODRUGS

  PŘICHYSTAL David NOVOTNÝ Jan SOJKA Martin NEČAS Marek MAREK Radek

  Conference abstract

  Year: 2017, type: Conference abstract

• Linking the Character of the Metal-Ligand Bond to the Ligand NMR Shielding in Transition-Metal Complexes: NMR Contributions from Spin-Orbit Coupling

  NOVOTNÝ Jan VÍCHA Jan BORA Pankaj Lochan REPISKY Michal STRAKA Michal KOMOROVSKY Stanislav MAREK Radek

  Article in Periodical

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