2018

• Protein environment affects the water-tryptophan binding mode. MD, QM/MM, and NMR studies of engrailed homeodomain mutants

  ŠPAČKOVÁ Naděžda TROŠANOVÁ Zuzana SEBESTA F. JANSEN Séverine BURDA J.V. SRB Pavel ZACHRDLA Milan ŽÍDEK Lukáš KOZELKA Jiří

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2018, volume: 20, edition: 18, 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

• Lone pair–pi interactions in biological systems: occurrence, function, and physical origin

  KOZELKA Jiří

  Article in Periodical

  European Biophysics Journal With Biophysics Letters, year: 2017, volume: 46, edition: 8, DOI

2016

• Lone-pair–pi interactions: analysis of the physical origin and biolological implications

  NOVOTNÝ Jan BAZZI Sophia MAREK Radek KOZELKA Jiří

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2016, volume: 18, edition: 28, DOI

2015

• Asymmetric Bifurcated Halogen Bonds

  NOVÁK Martin FOROUTANNEJAD Cina MAREK Radek

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 9, DOI

• MX2...YX2 bonding: A case study

  BORA Pankaj Lochan MAREK Radek

  Appeared in Conference without Proceedings

  Year: 2015, type: Appeared in Conference without Proceedings

• On the Non-Classical Contribution in Lone-Pair-pi Interaction: IQA perspective

  BADRI Zahra FOROUTANNEJAD Cina KOZELKA Jiří MAREK Radek

  Article in Periodical

  Physical Chemistry Chemical Physics, year: 2015, volume: 17, edition: 39, DOI