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Shape-Based Descriptors for Efficient Structure-Based Fragment Growing., , , , , , and . J. Chem. Inf. Model., 60 (12): 6269-6281 (2020)The Torsion Library: Semiautomated Improvement of Torsion Rules with SMARTScompare., , , , , and . J. Chem. Inf. Model., 62 (7): 1644-1653 (2022)A Consistent Scheme for Gradient-Based Optimization of Protein-Ligand Poses., , , , and . J. Chem. Inf. Model., 60 (12): 6502-6522 (2020)FastGrow: on-the-fly growing and its application to DYRK1A., , , , , , , and . J. Comput. Aided Mol. Des., 36 (9): 639-651 (2022)Topological Similarity Search in Large Combinatorial Fragment Spaces., , and . J. Chem. Inf. Model., 61 (1): 238-251 (2021)Connected Subgraph Fingerprints: Representing Molecules Using Exhaustive Subgraph Enumeration., , and . J. Chem. Inf. Model., 59 (11): 4625-4635 (2019)Comparison of Combinatorial Fragment Spaces and Its Application to Ultralarge Make-on-Demand Compound Catalogs., , , and . J. Chem. Inf. Model., 62 (3): 553-566 (2022)QM assisted ML for 19F NMR chemical shift prediction., and . J. Comput. Aided Mol. Des., 38 (1): 4 (December 2024)ProteinsPlus: a comprehensive collection of web-based molecular modeling tools., , , , , , , , , and . Nucleic Acids Res., 50 (W1): 611-615 (2022)Shape-based methods for Structure-based Fragment Growing. University of Hamburg, Germany, (2022)base-search.net (ftsubhamburg:oai:ediss.sub.uni-hamburg.de:ediss/10043).