| Large-scale assessment of binding free energy calculations in active drug discovery projects CEM Schindler, H Baumann, A Blum, D Böse, HP Buchstaller, ... Journal of Chemical Information and Modeling 60 (11), 5457-5474, 2020 | 215 | 2020 |
| Structure-based development of a subtype-selective orexin 1 receptor antagonist J Hellmann, M Drabek, J Yin, J Gunera, T Pröll, F Kraus, CJ Langmead, ... Proceedings of the National Academy of Sciences 117 (30), 18059-18067, 2020 | 46 | 2020 |
| Optimization of TEAD P-Site Binding Fragment Hit into In Vivo Active Lead MSC-4106 T Heinrich, C Peterson, R Schneider, S Garg, D Schwarz, J Gunera, ... Journal of Medicinal Chemistry 65 (13), 9206-9229, 2022 | 28 | 2022 |
| Identification of Methionine Aminopeptidase-2 (MetAP-2) Inhibitor M8891: A Clinical Compound for the Treatment of Cancer T Heinrich, J Seenisamy, F Becker, B Blume, J Bomke, M Dietz, U Eckert, ... Journal of medicinal chemistry 62 (24), 11119-11134, 2019 | 28 | 2019 |
| Tryptophan C5‐, C6‐ and C7‐Prenylating Enzymes Displaying a Preference for C‐6 of the Indole Ring in the Presence of Unnatural Dimethylallyl Diphosphate … J Winkelblech, M Liebhold, J Gunera, X Xie, P Kolb, SM Li Advanced Synthesis & Catalysis 357 (5), 975-986, 2015 | 25 | 2015 |
| Structure-based discovery of novel ligands for the orexin 2 receptor J Gunera, JG Baker, N Van Hilten, DM Rosenbaum, P Kolb Journal of medicinal chemistry 63 (19), 11045-11053, 2020 | 9 | 2020 |
| PrenDB, a substrate prediction database to enable biocatalytic use of prenyltransferases J Gunera, F Kindinger, SM Li, P Kolb Journal of Biological Chemistry 292 (10), 4003-4021, 2017 | 9 | 2017 |
| Similarity- and Substructure-Based Development of β2-Adrenergic Receptor Ligands Based on Unusual Scaffolds D Schmidt, J Gunera, JG Baker, P Kolb ACS Medicinal Chemistry Letters 8 (5), 481-485, 2017 | 8 | 2017 |
| Fragment‐based similarity searching with infinite color space J Gunera, P Kolb Journal of computational chemistry 36 (21), 1597-1608, 2015 | 5 | 2015 |
| Large-Scale Assessment of Binding Free Energy Calculations in Active Drug Discovery Projects; 2020 C Schindler, H Baumann, A Blum, D Böse, HP Buchstaller, L Burgdorf, ... Publisher: ChemRxiv, 0 | 3 | |
| Discovery of reversible and covalent TEAD 1 selective inhibitors MSC-1254 and MSC-5046 based on one scaffold E Carswell, T Heinrich, C Petersson, J Gunera, S Garg, D Schwarz, ... Bioorganic & Medicinal Chemistry Letters, 129981, 2024 | | 2024 |
| Tricyclic heterocycles T Heinrich, S Schlesiger, J Gunera, L Koetzner, E Carswell, A Blum US Patent App. 18/559,048, 2024 | | 2024 |
| Methionine aminopeptidases T Heinrich, FT Zenke, J Bomke, J Gunera, A Wegener, M Friese-Hamim, ... Metalloenzymes, 343-373, 2024 | | 2024 |
| Tricyclic heterocycles T Heinrich, S Schlesiger, J Gunera, L Koetzner, E Carswell, A Blum US Patent App. 18/006,091, 2023 | | 2023 |
| Tricyclic heterocycles T Heinrich, S Schlesiger, J Gunera, E Carswell, L Koetzner, A Blum US Patent App. 17/998,030, 2023 | | 2023 |
| Development and prospective application of chemoinformatic tools to explore new ligand chemistry and protein biology J Gunera Philipps-Universität Marburg, 2017 | | 2017 |
| Exploring and cataloguing the substrate space of prenyltransferases: automatic generation of SMARTS J Gunera, P Kolb Journal of Cheminformatics 6 (Suppl 1), P22, 2014 | | 2014 |
