| A new method to detect related function among proteins independent of sequence and fold homology S Schmitt, D Kuhn, G Klebe Journal of molecular biology 323 (2), 387-406, 2002 | 549 | 2002 |
| Unexpected nanomolar inhibition of carbonic anhydrase by COX-2-selective celecoxib: new pharmacological opportunities due to related binding site recognition A Weber, A Casini, A Heine, D Kuhn, CT Supuran, A Scozzafava, G Klebe Journal of medicinal chemistry 47 (3), 550-557, 2004 | 543 | 2004 |
| DoGSiteScorer: a web server for automatic binding site prediction, analysis and druggability assessment A Volkamer, D Kuhn, F Rippmann, M Rarey Bioinformatics 28 (15), 2074-2075, 2012 | 492 | 2012 |
| Combining global and local measures for structure-based druggability predictions A Volkamer, D Kuhn, T Grombacher, F Rippmann, M Rarey Journal of chemical information and modeling 52 (2), 360-372, 2012 | 472 | 2012 |
| 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 | 192 | 2020 |
| From the similarity analysis of protein cavities to the functional classification of protein families using cavbase D Kuhn, N Weskamp, S Schmitt, E Hüllermeier, G Klebe Journal of molecular biology 359 (4), 1023-1044, 2006 | 118 | 2006 |
| Functional classification of protein kinase binding sites using Cavbase D Kuhn, N Weskamp, E Hüllermeier, G Klebe ChemMedChem: Chemistry Enabling Drug Discovery 2 (10), 1432-1447, 2007 | 84 | 2007 |
| An efficient method for the synthesis of peptide aldehyde libraries employed in the discovery of reversible SARS coronavirus main protease (SARS‐CoV Mpro) inhibitors SI Al‐Gharabli, STA Shah, S Weik, MF Schmidt, JR Mesters, D Kuhn, ... ChemBioChem 7 (7), 1048-1055, 2006 | 78 | 2006 |
| Multiple graph alignment for the structural analysis of protein active sites N Weskamp, E Hullermeier, D Kuhn, G Klebe IEEE/ACM Transactions on Computational Biology and Bioinformatics 4 (2), 310-320, 2007 | 76 | 2007 |
| Efficient similarity search in protein structure databases by k-clique hashing N Weskamp, D Kuhn, E Hüllermeier, G Klebe Bioinformatics 20 (10), 1522-1526, 2004 | 76 | 2004 |
| CACHE (Critical Assessment of Computational Hit-finding Experiments): a public–private partnership benchmarking initiative to enable the development of computational methods … S Ackloo, R Al-Awar, RE Amaro, CH Arrowsmith, H Azevedo, RA Batey, ... Nature Reviews Chemistry 6 (4), 287-295, 2022 | 40 | 2022 |
| JUMP Cell Painting dataset: morphological impact of 136,000 chemical and genetic perturbations SN Chandrasekaran, J Ackerman, E Alix, DM Ando, J Arevalo, M Bennion, ... Biorxiv, 2023.03. 23.534023, 2023 | 38 | 2023 |
| Three million images and morphological profiles of cells treated with matched chemical and genetic perturbations SN Chandrasekaran, BA Cimini, A Goodale, L Miller, M Kost-Alimova, ... Nature Methods, 1-8, 2024 | 37 | 2024 |
| Discovery and optimization of 2-arylquinazolin-4-ones into a potent and selective tankyrase inhibitor modulating Wnt pathway activity HP Buchstaller, U Anlauf, D Dorsch, D Kuhn, M Lehmann, B Leuthner, ... Journal of Medicinal Chemistry 62 (17), 7897-7909, 2019 | 29 | 2019 |
| Ddr2 inhibitors for the treatment of osteoarthritis M Wucherer-Plietker, D Werkmann, A Gigout, D Kuhn, E Sawatzky US Patent App. 14/424,498, 2015 | 27 | 2015 |
| Context-enriched molecule representations improve few-shot drug discovery J Schimunek, P Seidl, L Friedrich, D Kuhn, F Rippmann, S Hochreiter, ... arXiv preprint arXiv:2305.09481, 2023 | 26 | 2023 |
| 8-substituted 2-amino-[1, 2, 4] triazolo [1, 5-A] pyrazines as Syk tryrosine kinase inhibitors and GCN2 serin kinase inhibitors C Deutsch, D Kuhn, T Ross, L Burgdorf US Patent 9,120,804, 2015 | 22 | 2015 |
| Detailed structure–activity relationship of indolecarboxamides as H4 receptor ligands H Engelhardt, IJP de Esch, D Kuhn, RA Smits, OP Zuiderveld, J Dobler, ... European journal of medicinal chemistry 54, 660-668, 2012 | 21 | 2012 |
| Predicting enzymatic function from global binding site descriptors A Volkamer, D Kuhn, F Rippmann, M Rarey Proteins: Structure, Function, and Bioinformatics 81 (3), 479-489, 2013 | 19 | 2013 |
| Heterocyclyl carbonic acid amides as antiproliferative agents, pdkl inhibitors H Engelhardt, G Boehmelt, C Kofink, D Kuhn, D McConnell, ... US Patent App. 13/003,973, 2011 | 19 | 2011 |
