Publikationen der MSD-Gruppe

Zeitschriftenartikel (93)

2023
Zeitschriftenartikel
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), S. 3279 - 3286 (2023)
Zeitschriftenartikel
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), S. 1032 - 1043 (2023)
Zeitschriftenartikel
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, S. 9759 - 9774 (2023)
Zeitschriftenartikel
Gerlach, M.; Jameel, F.; Seidel-Morgenstern, A.; Stein, M.; Hamel, C.: Operando characterization of rhodium catalyst degradation in hydroformylation. Catalysis Science & Technology 13 (6), S. 1788 - 1801 (2023)
Zeitschriftenartikel
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), S. 2084 - 2094 (2023)
Zeitschriftenartikel
Kaim, V.; Joshi, M.; Stein, M.; Kaur-Ghumaan, S.: Mono-nuclear ruthenium catalyst for hydrogen evolution. International Journal of Hydrogen Energy 48 (79), S. 30718 - 30731 (2023)
Zeitschriftenartikel
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), S. 767 - 778 (2023)
Zeitschriftenartikel
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, S. 10954 - 10959 (2023)
Zeitschriftenartikel
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), S. 4854 - 4868 (2023)
Zeitschriftenartikel
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), S. 2667 - 2686 (2023)
2022
Zeitschriftenartikel
Burmaoglu, S.; Kazancioglu, E. A.; Kazancioglu, M. Z.; Sağlamtaş, R.; Yalçin-Özkat, G.; Gulcin, I.; Algul, O.: Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives. Journal of Molecular Structure 1254, 132358 (2022)
Zeitschriftenartikel
Díaz Mirón, J.E.Z.; Stein, M.: A benchmark for non-covalent interactions in organometallic crystals. Physical Chemistry Chemical Physics 24, S. 29338 - 29349 (2022)
Zeitschriftenartikel
Jameel, F.; Stein, M.: The many roles of solvent in homogeneous catalysis - The reductive amination showcase. Journal of Catalysis 405, S. 24 - 34 (2022)
Zeitschriftenartikel
Kaim, V.; Joshi, M.; Stein, M.; Kaur-Ghumaan, S.: Mononuclear manganese complexes as hydrogen evolving catalysts. Frontiers in Chemistry 10, 993085 (2022)
Zeitschriftenartikel
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 (2022)
Zeitschriftenartikel
Natarajan, M.; Kumar, N.; Joshi, M.; Stein, M.; Kaur‐Ghumaan, S.: Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand. ChemistryOpen 11 (1), e202100238 (2022)
Zeitschriftenartikel
Schlüter, D.; Schulze-Niemand, E.; Stein, M.; Naumann, M.: Ovarian tumor domain proteases in pathogen infection. Trends in Microbiology 30 (1), S. 22 - 33 (2022)
Zeitschriftenartikel
Schulze-Niemand, E.; Naumann, M.; Stein, M.: Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics 90 (4), S. 947 - 958 (2022)
Zeitschriftenartikel
Yalçin-Özkat, G.: Computational studies with flavonoids and terpenoids as BRPF1 inhibitors: in silico biological activity prediction, molecular docking, molecular dynamics simulations, MM/PBSA calculations. SAR and QSAR in Environmental Research 33 (7), S. 533 - 550 (2022)
2021
Zeitschriftenartikel
Benner, P.; Khoromskaia, V.; Khoromskij, B.; Kweyu, C. M.; Stein, M.: Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing 43 (1), S. A415 - A445 (2021)
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