Publications

E. Abad, J. B. Rommel, and J. Kästner. Reaction Mechanism of the Bicopper Enzyme Peptidylglycine-alpha-Hydroxylating Monooxygenase. J. Biol. Chem., (289):13726-13738, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

E. Abad, R. K. Zenn, and J. Kästner. Reaction Mechanism of Monoamine Oxidase from QM/MM Calculations. J. Phys. Chem. B, (117):14238-14246, 2013. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

Mathis Benedikter, Janis Musso, Manoj K. Kesharwani, K. Leonard Sterz, Iris Elser, Felix Ziegler, Felix Fischer, Bernd Plietker, Wolfgang Frey, Johannes Kästner, Mario Winkler, Joris van Slageren, Michal Nowakowski, Matthias Bauer, and Michael R. Buchmeiser. Charge Distribution in Cationic Molybdenum Imido Alkylidene N-Heterocyclic Carbene Complexes: A Combined X-ray, XAS, XES, DFT, Mössbauer, and Catalysis Approach. ACS Catal., (10):14810-14823, 2020. [PUMA: chemie kaestner kästner theoretische stuttgart theochem] URL

Kevin Blanco-Esperguez, Inaki Tunon, Johannes Kästner, Fernando Mendizábal, and Sebasti\´an Miranda-Rojas. Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity. Int. J. Mol. Sci., (23):10339, 2022. [PUMA: chemie kaestner kästner theoretische stuttgart theochem] URL

Kevin Blanco-Esperguez, Inaki Tunon, Johannes Kästner, Fernando Mendizábal, and Sebasti\´an Miranda-Rojas. Unraveling the Role of the Tyrosine Tetrad from the Binding Site of the Epigenetic Writer MLL3 in the Catalytic Mechanism and Methylation Multiplicity. Int. J. Mol. Sci., (23):10339, 2022. [PUMA: chemie kaestner kästner theoretische stuttgart from:danielborn theochem] URL

S Álvarez-Barcia, P Russ, J Kästner, and T Lamberts. Hydrogen transfer reactions of interstellar complex organic molecules. Mon. Not. R. Astron. Soc., (479)2:2007-2015, 2018. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

S. Álvarez-Barcia, J. R. Flores, and J Kästner. Tunneling Above the Crossover Temperature. J. Phys. Chem. A, (118):78, 2014. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

S. Álvarez-Barcia, and J. Kästner. Atom Tunneling in the Hydroxylation Process of Taurine/α-Ketoglutarate Dioxygenase Identified by Quantum Mechanics/Molecular Mechanics Simulations. J. Phys. Chem. B, (121):5347-5354, 2017. [PUMA: chemie imported kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL

S. Álvarez-Barcia, M.-S. Russ, J. Meisner, and J. Kästner. Atom tunnelling in the reaction NH₃⁺ + H₂ → NH₄⁺ + H and its astrochemical relevance. Faraday Disc., (195):69-80, 2016. [PUMA: chemie imported kaestner from:alexanderdenzel kästner meisner theoretische stuttgart theochem] URL

Sonia Álvarez-Barcia, and Johannes Kästner. Copper coordination in formylglycine generating enzymes. Eur. Phys. J. Spec. Top., (227)14:1657--1664, 2019. [PUMA: chemie kaestner from:alexanderdenzel kästner theoretische stuttgart theochem] URL