| Kinetics for Drug Discovery: an industry-driven effort to target drug residence time DA Schuetz, WEA de Witte, YC Wong, B Knasmueller, L Richter, DB Kokh, ... Drug discovery today 22 (6), 896-911, 2017 | 204 | 2017 |
| The pharmacophore concept and its applications in computer-aided drug design T Seidel, DA Schuetz, A Garon, T Langer Progress in the Chemistry of Organic Natural Products 110: Cheminformatics …, 2019 | 83 | 2019 |
| Predicting residence time and drug unbinding pathway through scaled molecular dynamics DA Schuetz, M Bernetti, M Bertazzo, D Musil, HM Eggenweiler, ... Journal of Chemical Information and Modeling 59 (1), 535-549, 2018 | 74 | 2018 |
| Ligand desolvation steers on-rate and impacts drug residence time of heat shock protein 90 (Hsp90) inhibitors DA Schuetz, L Richter, M Amaral, M Grandits, U Grädler, D Musil, ... Journal of Medicinal Chemistry 61 (10), 4397-4411, 2018 | 46 | 2018 |
| GRAIL: Grids of pharmacophore interaction fields DA Schuetz, T Seidel, A Garon, R Martini, M Körbel, GF Ecker, T Langer Journal of Chemical Theory and Computation 14 (9), 4958-4970, 2018 | 26 | 2018 |
| A structure–kinetic relationship study using matched molecular pair analysis DA Schuetz, L Richter, R Martini, GF Ecker RSC Medicinal Chemistry 11 (11), 1285-1294, 2020 | 16 | 2020 |
| Discovery of a dual Ras and ARF6 inhibitor from a GPCR endocytosis screen J Giubilaro, DA Schuetz, TM Stepniewski, Y Namkung, E Khoury, ... Nature Communications 12 (1), 4688, 2021 | 12 | 2021 |
| Pyrido[3,2-D] Pyrimidine compounds uses thereof for treating a proliferative disease PL Beaulieu, E Beaulieu, T Sasmita, E Benoit, T Joanne, H Lavoie, ... CA Patent WO2022221939A1, 2022 | 1 | 2022 |
| THIAZOLO[5,4-D]PYRIMIDINE compounds, compositions comprising them and uses thereof PL BEAULIEU, E BEAULIEU, E BENOIT, J TAN, Y ROSE, M DORE, ... WO Patent WO2,024,077,391, 2024 | | 2024 |
| Towards DNA-Encoded Library Generation with GFlowNets YB Michał Koziarski, Mohammed Abukalam, Vedant Shah, Louis Vaillancourt ... ICLR GEM 2024 (Poster Presentation), 2024 | | 2024 |
| Generative Active Learning for the Search of Small-molecule Protein Binders ICLR GEM 2024, oral presentation, 2024 | | 2024 |
| Structural determinants of pure antiestrogenicity M Diennet, F Shaikh, M El Ezzy, K Thiombane, S Weber, J Poupart, ... bioRxiv, 2023.10. 31.564979, 2023 | | 2023 |
| OR11-02 Structural Determinants of Pure Antiestrogenic Activity A Vallet, M Diennet, K Thiombane, A Vivet, S Weber, M El Ezzy, F Shaikh, ... Journal of the Endocrine Society 7 (Supplement_1), bvad114. 1735, 2023 | | 2023 |
| Combining matched molecular pairs with binding pocket analysis to gain new insights into molecular features driving drug binding kinetics G Ecker, L Richter, S Gugerell, D Schütz, R Martini American Chemical Society SciMeetings 1 (1), 2020 | | 2020 |
| Full wwPDB X-ray Structure Validation Report - Human Heat Shock Protein 90 bound to 6-Hydroxy-3-(3-methyl-benzyl)-1H-indazole-5-carboxylic acid methyl-(4-morpholin-4-yl-phenyl … DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ... https://files.rcsb.org/pub/pdb/validation_reports/oc/5oci …, 2019 | | 2019 |
| Full wwPDB X-ray Structure Validation Report - Crystal Structure of Hsp90-alpha N-Domain in complex with Indazole derivative M Amaral, D Schuetz http://files.rcsb.org/pub/pdb/validation_reports/od/5odx …, 2019 | | 2019 |
| Full wwPDB X-ray Structure Validation Report - Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ... | | 2019 |
| Full wwPDB X-ray Structure Validation Report - Hsp90 inhibitor desolvation as a rationale to steer on-rates and impact residence time DA Schuetz, L Richter, M Amaral, M Grandits, D Musil, U Graedler, ... https://files.rcsb.org/pub/pdb/validation_reports/od/5od7 …, 2019 | | 2019 |
| Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative U Graedler, M Amaral, D Schuetz https://files.rcsb.org/pub/pdb/validation_reports/ln/5lny …, 2018 | | 2018 |
| Full wwPDB X-ray Structure Validation Report - HSP90 WITH indazole derivative U Graedler, M Amaral, D Schuetz https://files.rcsb.org/pub/pdb/validation_reports/ln/5lnz …, 2018 | | 2018 |
Gerhard F EckerProfessor of Pharmacoinformatics, University of ViennaEmail verificata su univie.ac.at
