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Identification of mitochondrial toxicants by combined in silico and in vitro studies – A structure-based view on the adverse outcome pathway2020 Computational Toxicology article Computer Science Computational Drug Discovery Methods Open access
Florentina Troger, Johannes Delp, Melina Funke, Wanda van der Stel, Claire Colas, Marcel Leist, +2 more
22citations -
A Structure-Based Platform for Predicting Chemical-Induced Parkinson’s Disease2026 Chemical Research in Toxicology article Computer Science Computational Drug Discovery Methods Open access
Linde Schoenmaker, Emmelie van der Veer, Daan A. Jiskoot, Olivier J. M. Béquignon, Gerard J. P. van Westen, Willem Jespers
0citations -
Identifying Novel Inhibitors for Hepatic Organic Anion Transporting Polypeptides by Machine Learning-Based Virtual Screening2022 Journal of Chemical Information and Modeling article Computer Science Computational Drug Discovery Methods Open access
Alzbeta Tuerkova, Brandon J. Bongers, Ulf Norinder, Orsolya Ungvári, Virág Székely, Andrey Tarnovskiy, +4 more
24citations -
Ultralarge Virtual Screening Identifies SARS-CoV-2 Main Protease Inhibitors with Broad-Spectrum Activity against Coronaviruses2022 Journal of the American Chemical Society article Computer Science Computational Drug Discovery Methods Open access cited by 15 patents
Andreas Luttens, Hjalmar Gullberg, Eldar Abdurakhmanov, Duy Duc Vo, Dario Akaberi, V. Talibov, +19 more
253citations -
Cover Picture: Proteomic Atomics Reveals a Distinctive Uracil‐5‐Methyltransferase (Mol. Inf. 5/2020)2020 Molecular Informatics article Computer Science Computational Drug Discovery Methods Open access
Subrata Pramanik, Manisha Thaker, Ananda Gopu Perumal, Rajasekaran Ekambaram, Naresh Poondla, Markus R. Schmidt, +3 more
0citations -
Design and pharmacological profile of a novel covalent partial agonist for the adenosine A1 receptor2020 Biochemical Pharmacology article Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access
Xue Fei Yang, Majlen A. Dilweg, Dion Osemwengie, Lindsey Burggraaff, Daan van der Es, Laura H. Heitman, +1 more
16citations -
Design, Synthesis and Pharmacological Profile of LUF7746, a Novel Covalent Partial Agonist for the Adenosine A1 Receptor2020 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access
Xue Fei Yang, Majlen A. Dilweg, Dion Osemwengie, Lindsey Burggraaff, Daan van der Es, Laura H. Heitman, +1 more
0citations -
Design, Synthesis and Pharmacological Profile of LUF7746, a Novel Covalent Partial Agonist for the Adenosine A1 Receptor2020 ChemRxiv preprint Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access
Xue Fei Yang, Majlen A. Dilweg, Dion Osemwengie, Lindsey Burggraaff, Daan van der Es, Laura H. Heitman, +1 more
0citations -
Exploring novel dilazep derivatives as hENT1 inhibitors and potentially covalent molecular tools2024 Purinergic Signalling article Biochemistry, Genetics and Molecular Biology Adenosine and Purinergic Signaling Open access
Majlen A. Dilweg, Marina Gorostiola González, Martijn D. de Ruiter, Nadine J. Meijboom, Jacobus P. D. van Veldhoven, Rongfang Liu, +5 more
3citations
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