Journal Article (96)
2022
Journal Article
90 (4), pp. 947 - 958 (2022)
Substrate‐assisted activation and selectivity of the bacterial RavD effector deubiquitinylase. Proteins: Structure, Function, and Bioinformatics
Journal Article
33 (7), pp. 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 2021
Journal Article
43 (1), pp. A415 - A445 (2021)
Regularization of Poisson-Boltzmann Type Equations with Singular Source Terms Using the Range-Separated Tensor Format. SIAM Journal on Scientific Computing
Journal Article
22 (6), 3078 (2021)
Accurate Receptor-Ligand Binding Free Energies from Fast QM Conformational Chemical Space Sampling. International Journal of Molecular Sciences
Journal Article
27 (72), pp. 18093 - 18102 (2021)
Incorporation of β‐alanine in Cu(II) ATCUN peptide complexes increases ROS levels, DNA cleavage and antiproliferative activity. Chemistry – A European Journal
Journal Article
11, pp. 590 - 594 (2021)
Solvent Selection in Homogeneous Catalysis—Optimization of Kinetics and Reaction Performance. ACS Catalysis
Journal Article
503, 111429 (2021)
Solvent effects in hydroformylation of long-chain olefins. Molecular Catalysis
Journal Article
230, 116187 (2021)
Kinetics of the Reductive Amination of 1-Undecanal in Thermomorphic Multicomponent System. Chemical Engineering Science
Journal Article
129, 213903 (2021)
Mn(III) complexes with nitro-substitutedligands—Spin states with a twist. Journal of Applied Physics
Journal Article
6, pp. 4192 - 4203 (2021)
Switching Site Reactivity in Hydrogenase Model Systems by Introducing a Pendant Amine Ligand. ACS Omega
Journal Article
8, 770320 (2021)
The Activation and Selectivity of the Legionella RavD Deubiquitinase. Frontiers in Molecular Biosciences
Journal Article
11, 802 (2021)
Binding of SARS-CoV Covalent Non-Covalent Inhibitors to the SARS-CoV-2 Papain-Like Protease and Ovarian Tumor Domain Deubiquitinases. Biomolecules
Journal Article
59, 100789 (2021)
Molecular Modeling Strategies of Cancer Multidrug Resistance. Drug Resistance Updates 2020
Journal Article
21 (7), pp. 1007 - 1021 (2020)
Chemical-Shift Perturbations Reflect Bile Acid Binding to Norovirus Coat Protein - Recognition Comes in Different Flavors. ChemBioChem: A European Journal of Chemical Biology
Journal Article
32 (40), 404002 (2020)
Modulation of Jahn-Teller Distortion and Electromechanical Response in a Mn3+ Spin Crossover Complex. Journal of Physics: Condensed Matter
Journal Article
23 (1-4), 15, 19 pages (2020)
Fast Solution of the Linearized Poisson-Boltzmann Equation with nonaffine Parametrized Boundary Conditions Using the Reduced Basis Method. Computing and Visualization in Science
Journal Article
295 (20), pp. 6972 - 6982 (2020)
Activation and selectivity of OTUB-1 and OTUB-2 deubiquitinylases. Journal of Biological Chemistry 2019
Journal Article
9, pp. 4308 - 4319 (2019)
In Situ Infrared Spectroscopy as a Tool for Monitoring Molecular Catalyst for Hydroformylation in Continuous Processes. ACS Catalysis
Journal Article
10 (3), pp. 227 - 242 (2019)
Recognition and stabilization of geranylgeranylated human Rab5 by the GDP Dissociation Inhibitor (GDI). Small GTPases
Journal Article
11 (19), pp. 4894 - 4906 (2019)
Mechanism and Control of the Palladium-Catalyzed Alkoxycarbonylation of Oleochemicals from Sustainable Sources. ChemCatChem