Publikationen der MSD-Gruppe
Zeitschriftenartikel (8)
2022
Zeitschriftenartikel
1254, 132358 (2022)
Synthesis, molecular docking and some metabolic enzyme inhibition properties of biphenyl-substituted chalcone derivatives. Journal of Molecular Structure
Zeitschriftenartikel
24, S. 29338 - 29349 (2022)
A benchmark for non-covalent interactions in organometallic crystals. Physical Chemistry Chemical Physics
Zeitschriftenartikel
405, S. 24 - 34 (2022)
The many roles of solvent in homogeneous catalysis - The reductive amination showcase. Journal of Catalysis
Zeitschriftenartikel
10, 993085 (2022)
Mononuclear manganese complexes as hydrogen evolving catalysts. Frontiers in Chemistry
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
33 (7), S. 533 - 550 (2022)
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 Buchkapitel (2)
2022
Buchkapitel
Kinetic Modeling of Complex Catalytic Reactions in Multiphase Systems. In: Integrated Chemical Processes in Liquid Multiphase Systems, S. 101 - 149 (Hg. Kraume, M.; Enders, S.). Walter de Gruyter GmbH, Berlin/Boston (2022)
Buchkapitel
Solvent Selection for Reactions in Liquid Phases. In: Integrated Chemical Processes in Liquid Multiphase Systems, S. 523 - 535 (Hg. Kraume, M.; Enders, S.; Drews, A.; Schomäcker, R.; Engell, S. et al.). Walter de Gruyter GmbH, Berlin/Boston (2022)
Vortrag (5)
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
The multitude of roles of solvent in homogeneous catalysis. ACS Fall Meeting, Chicago, IL, USA (2022)
Vortrag
Screening, identification and targeting of active molecules. First annual meeting of ProteoCure, Ljubljana, Slovenia (2022)
Vortrag
Non-Covalent Interactions in Molecular Receptors and Crystals. Bunsen-Tagung 2022 - Understanding Dispersion Interactions in Molecular Chemistry, Giessen, 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 (7)
2022
Poster
Non-Covalent Interactions in Molecular Receptors and Crystals. CRC Computational Chemistry Gordon Research Conference “Multiscale Modeling of Complex Systems: Methods and Applications", Castelldefels, Spain (2022)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne‐1. Hybrid Workshop "Computer Simulation and Therory of Macromolecules", Hünfeld, Germany (2022)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne-1. Konferenz XI. ZOMES, Magdeburg, Germany (2022)
Poster
Conformational Transitions in the Catalytic Cycle of Cezanne-1. EMBO Workshop - Ubiquitin and ubiquitin-like proteins in health and diseases, Cavtat, Croatia (2022)
Poster
Solvent Selection for Sustainable Homogeneously Catalyzed Reactions. 58th Symposium on Theoretical Chemistry, Heidelberg, Germany (2022)