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Kinetics for Drug Discovery: an industry-driven effort to target drug residence time, , , , , , , , , and 16 other author(s). Drug Discovery Today, 22 (6): 896 - 911 (2017)Snooker: A Structure-Based Pharmacophore Generation Tool Applied to Class A GPCRs., , , , , , , and . Journal of Chemical Information and Modeling, 51 (9): 2277-2292 (2011)Structure-Based Prediction of G-Protein-Coupled Receptor Ligand Function: A β-Adrenoceptor Case Study., , , and . Journal of Chemical Information and Modeling, 55 (5): 1045-1061 (2015)Comparison of structure- and ligand-based scoring functions for deep generative models: a GPCR case study., , , , and . J. Cheminformatics, 13 (1): 39 (2021)KLIFS: a structural kinase-ligand interaction database., , , , , and . Nucleic Acids Res., 44 (Database-Issue): 365-371 (2016)Re-evaluating sample efficiency in de novo molecule generation., , , and . CoRR, (2022)Augmented Hill-Climb increases reinforcement learning efficiency for language-based de novo molecule generation., , , and . J. Cheminformatics, 14 (1): 68 (2022)Electron Density Fingerprints (EDprints): Virtual Screening Using Assembled Information of Electron Density., , , , and . Journal of Chemical Information and Modeling, 50 (10): 1772-1780 (2010)Virtual Fragment Screening: Discovery of Histamine H3 Receptor Ligands Using Ligand-Based and Protein-Based Molecular Fingerprints., , , , , , , , , and 1 other author(s). Journal of Chemical Information and Modeling, 52 (12): 3308-3324 (2012)3D-e-Chem-VM: Structural Cheminformatics Research Infrastructure in a Freely Available Virtual Machine., , , , , , , , , and 1 other author(s). Journal of Chemical Information and Modeling, 57 (2): 115-121 (2017)