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CGCompiler: Automated Coarse-Grained Molecule Parametrization via Noise-Resistant Mixed-Variable Optimization2023 Journal of Chemical Theory and Computation article Chemistry Advanced Physical and Chemical Molecular Interactions Open access
Kai Steffen Stroh, Paulo C. T. Souza, Luca Monticelli, Herre Jelger Risselada
17citations -
From Mechanism-Based Retaining Glycosidase Inhibitors to Activity-Based Glycosidase Profiling2024 Journal of the American Chemical Society article Chemistry Carbohydrate Chemistry and Synthesis Open access
Marta Artola, Johannes M. F. G. Aerts, Gijsbert A. van der Marel, Carme Rovira, Jeroen D. C. Codée, G.J. Davies, +1 more
26citations -
Probing a Hydrogen‐π Interaction Involving a Trapped Water Molecule in the Solid State2023 Angewandte Chemie International Edition article Chemistry Advanced NMR Techniques and Applications Open access
Ettore Bartalucci, Alexander A. Malär, Anne Mehnert, Julius B. Kleine Büning, Lennart Günzel, Maik Icker, +5 more
29citations