Publikationen der MSD-Gruppe
Zeitschriftenartikel (7)
2022
Zeitschriftenartikel
1254, 132358 (2022)
Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives. Journal of Molecular Structure
Zeitschriftenartikel
405, S. 24 - 34 (2022)
The many roles of solvent in homogeneous catalysis - The reductive amination showcase. Journal of Catalysis
Zeitschriftenartikel
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
11 (1), e202100238 (2022)
Mechanism of Diiron Hydrogenase Complexes Controlled by Nature of Bridging Dithiolate Ligand. ChemistryOpen
Zeitschriftenartikel
30 (1), S. 22 - 33 (2022)
Ovarian tumor domain proteases in pathogen infection. Trends in Microbiology
Zeitschriftenartikel
90 (4), S. 947 - 958 (2022)
Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics
Zeitschriftenartikel
Design, synthesis, and computational studies of benzimidazole derivatives as new antitubercular agents. Journal of Biomolecular Structure and Dynamics, S. 1 - 20 (2022)
Vortrag (2)
2022
Vortrag
Conformational Transitions in the Catalytic Cycle of Cezanne-1. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
Vortrag
Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. 17th German Conference on Cheminformatics and EuroSAMPL Satellite Workshop, Garmisch-Partenkirchen, Germany (2022)
Poster (1)
2022
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
Hochschulschrift - Master (1)
2022
Hochschulschrift - Master
Investigation of the hydrogen evolution reaction using homogeneous and heterogeneous catalysts. Master (2022)