Publications MSD group

Barrera, J.; H. Haeri, H.; Heinrich, J.; Stein, M.; Hinderberger, D.; Kulak, N.: Impact of N-heteroaromatic N-termini in Cu(ii) ATCUN metallopeptides on their biorelevant redox activity. Dalton Transactions 52 (11), pp. 3279 - 3286 (2023)

Creutznacher, R.; Schulze-Niemand, E.; König, P.; Stanojlovic, V.; Mallagaray, A.; Peters, T.; Stein, M.; Schubert, M.: Conformational Control of Fast Asparagine Deamidation in a Norovirus Capsid Protein. Biochemistry 62 (5), pp. 1032 - 1043 (2023)

Gavutis, M.; Schulze-Niemand, E.; Lee, H.-H.; Liedberg, B.; Stein, M.; Valiokas, R.: Bilayer lipid membrane formation on surface assemblies with sparsely distributed tethers. Nanoscale 15, pp. 9759 - 9774 (2023)

Gerlach, M.; Jameel, F.; Seidel-Morgenstern, A.; Stein, M.; Hamel, C.: Operando characterization of rhodium catalyst degradation in hydroformylation. Catalysis Science & Technology 13 (6), pp. 1788 - 1801 (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Structural Dynamics of Lys11-Selective Deubiquitinylase Cezanne-1 during the Catalytic Cycle. Journal of Chemical Information and Modeling 63 (7), pp. 2084 - 2094 (2023)

Kaim, V.; Joshi, M.; Stein, M.; Kaur-Ghumaan, S.: Mono-nuclear ruthenium catalyst for hydrogen evolution. International Journal of Hydrogen Energy 48 (79), pp. 30718 - 30731 (2023)

Karacelik, A. A.; Yalçin-Özkat, G.: Mentha longifolia ssp. longifolia Essential Oil Components as Novel Carbonic Anhydrase Isoform i and IX Inhibitors: Biological and Molecular Docking Studies. Letters in Drug Design and Discovery 20 (6), pp. 767 - 778 (2023)

Kumar, R.; Stein, M.: The Fully Oxidized State of the Glutamate Coordinated O2-Tolerant [NiFe]-Hydrogenase Shows a Ni(III)/Fe(III) Open-Shell Singlet Ground State. Journal of the American Chemical Society 145, pp. 10954 - 10959 (2023)

Kweyu, C. M.; Feng, L.; Stein, M.; Benner, P.: Reduced Basis Method for the Nonlinear Poisson-Boltzmann Equation regularized by the Range-Separated Canonical Tensor Format. International Journal of Nonlinear Sciences and Numerical Simulation 24 (8), pp. 2915 - 2935 (2023)

Raabe, J.-C.; Esser, T.; Jameel, F.; Stein, M.; Albert, J.; Poller, M. J.: Study on the incorporation of various elements into the Keggin lacunary-type phosphomolybdate [PMo9O34]9−and subsequent purification of the polyoxometalates by nanofiltration. Inorganic Chemistry Frontiers 10 (16), pp. 4854 - 4868 (2023)

Tenberg, V.; Stein, M.; Lorenz, H.: Solid Phase and Stability Investigation of a Co-Crystal in the l-Valine/l-Leucine System. Crystals 13 (11), 1542 (2023)

Yalçin-Özkat, G.; Ersan, R. H.; Ulger, M.; Ulger, S. T.; Burmaoglu, S.; Yildiz, I.; Algul, O.: Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agents. Journal of Biomolecular Structure and Dynamics 41 (7), pp. 2667 - 2686 (2023)

Jameel, F.; Stein, M.: Solvent Design for Green Homogeneous multi-phase Industrial Reactions. European Conference on Computational and Theoretical Chemistry (CompChem 2023), Thessaloniki, Greece (2023)

Joshi, M.; Stein, M.: Electrocatalytic Hydrogen Production Using Transition Metal−based Molecular Catalysts. Bunsen-Tagung 2023 - Physical Chemistry of the Energy Transition / 122nd Annual Conference of the German Bunsen Society for Physical Chemistry, Berlin, Germany (2023)

Kumar, R.; Stein, M.: Oxidizing Ni or Fe in the Glutamate Coordinated O2-Tolerant (NiFe)-Hydrogenase: Broken-Symmetry DFT Exploration. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Stein, M.: Bio-inspired Catalysis and Therapeutics. 6th Quantum Bio-Inorganic Chemistry Conference, Warsaw, Poland (2023)

Elmaci, D. N.; Stein, M.: The Role of Disulfide Bonds on Structural Integrity of Human TFF1 Domain. CSC Spring School in Computational Chemistry 2023, Espoo, Finland (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Structural dynamics of K11-linked selective deubiquitylase Cezanne-1. Deubiquitylases and Ubl-proteases, Edinburgh, UK (2023)

Ilter, M.; Schulze-Niemand, E.; Naumann, M.; Stein, M.: Structural Dynamics of the K11-linked Selective Deubiquitinase Cezanne-1. CSC Spring School in Computational Chemistry 2023, Espoo, Finland (2023)

Díaz Mirón, J. E. Z.: Non-covalent interaction energies in organometallic complexes. Master (2023)