| Papyrus: a large-scale curated dataset aimed at bioactivity predictions OJM Bequignon, BJ Bongers, W Jespers, AP IJzerman, B van der Water, ... Journal of cheminformatics 15 (1), 3, 2023 | 46 | 2023 |
| UnCorrupt SMILES: a novel approach to de novo design L Schoenmaker, OJM Béquignon, W Jespers, GJP van Westen Journal of Cheminformatics 15 (1), 22, 2023 | 27 | 2023 |
| DrugEx: deep learning models and tools for exploration of drug-like chemical space M Sicho, S Luukkonen, HW van den Maagdenberg, L Schoenmaker, ... Journal of chemical information and modeling 63 (12), 3629-3636, 2023 | 15 | 2023 |
| Structure kinetics relationships and molecular dynamics show crucial role for heterocycle leaving group in irreversible diacylglycerol lipase inhibitors APA Janssen, JMA van Hengst, OJM Béquignon, H Deng, ... Journal of Medicinal Chemistry 62 (17), 7910-7922, 2019 | 14 | 2019 |
| Computational approaches for drug-induced liver injury (DILI) prediction: state of the art and challenges OJM Béquignon, G Pawar, B van de Water, MTD Cronin, GJP van Westen Reference Module in Biomedical Sciences, 2019 | 8 | 2019 |
| Impact of cancer-associated mutations in CC chemokine receptor 2 on receptor function and antagonism LS den Hollander, OJM Béquignon, X Wang, K van Wezel, J Broekhuis, ... Biochemical Pharmacology 208, 115399, 2023 | 7 | 2023 |
| Collaborative SAR modeling and prospective in vitro validation of oxidative stress activation in human HepG2 cells OJM Béquignon, JC Gómez-Tamayo, EB Lenselink, S Wink, S Hiemstra, ... Journal of Chemical Information and Modeling 63 (17), 5433-5445, 2023 | 4 | 2023 |
| Hypoxia triggers TAZ phosphorylation in basal A triple negative breast cancer cells Q Liu, W Stel, VE Noord, H Leegwater, B Coban, K Elbertse, JTM Pruijs, ... International journal of molecular sciences 23 (17), 10119, 2022 | 4 | 2022 |
| UnCorrupt SMILES: a novel approach to de novo design L Schoenmaker, OJM Béquignon, W Jespers, GJP van Westen | 1 | 2022 |
| QSPRpred: a flexible open-source quantitative structure-property relationship modelling tool HW van den Maagdenberg, M Šícho, DA Araripe, S Luukkonen, ... Journal of Cheminformatics 16 (1), 128, 2024 | | 2024 |
| CC chemokine receptor 2 is allosterically modulated by sodium ions and amiloride derivatives through a distinct sodium ion binding site LS den Hollander, AJM Zweemer, OJM Béquignon, DM Hammerl, ... Biochemical Pharmacology 229, 116464, 2024 | | 2024 |
| S29-03 GENESIS: Generative Exploration of NEurotoxicity Targets through SImilarity Assessment of SMILES N Spînu, OJM Béquignon, D Gadaleta Toxicology Letters 399, S50-S51, 2024 | | 2024 |
| Excuse me, there is a mutant in my bioactivity soup! A comprehensive analysis of the genetic variability landscape of bioactivity databases and its effect on activity modelling MG González, OJM Béquignon, E Manners, A Gaulton, P Mutowo, ... | | 2024 |