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Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
J Chem Inf Model. 2023 Sep 11;63(17):5433-5445. doi: 10.1021/acs.jcim.3c00220. Epub 2023 Aug 24.
J Chem Inf Model. 2023.
PMID: 37616385
Free PMC article.
DrugEx: Deep Learning Models and Tools for Exploration of Drug-Like Chemical Space.
Šícho M, Luukkonen S, van den Maagdenberg HW, Schoenmaker L, Béquignon OJM, van Westen GJP.
Šícho M, et al. Among authors: bequignon ojm.
J Chem Inf Model. 2023 Jun 26;63(12):3629-3636. doi: 10.1021/acs.jcim.3c00434. Epub 2023 Jun 5.
J Chem Inf Model. 2023.
PMID: 37272707
Free PMC article.
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UnCorrupt SMILES: a novel approach to de novo design.
Schoenmaker L, Béquignon OJM, Jespers W, van Westen GJP.
Schoenmaker L, et al. Among authors: bequignon ojm.
J Cheminform. 2023 Feb 14;15(1):22. doi: 10.1186/s13321-023-00696-x.
J Cheminform. 2023.
PMID: 36788579
Free PMC article.
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Corrigendum to "Impact of cancer-associated mutations in CC chemokine receptor 2 on receptor function and antagonism" [Biochem. Pharmacol. 208 (2023) 115399].
den Hollander LS, Béquignon OJM, Wang X, van Wezel K, Broekhuis J, Gorostiola González M, de Visser KE, IJzerman AP, van Westen GJP, Heitman LH.
den Hollander LS, et al. Among authors: bequignon ojm.
Biochem Pharmacol. 2023 Mar;209:115450. doi: 10.1016/j.bcp.2023.115450. Epub 2023 Feb 13.
Biochem Pharmacol. 2023.
PMID: 36774681
Free article.
No abstract available.
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Papyrus: a large-scale curated dataset aimed at bioactivity predictions.
Béquignon OJM, Bongers BJ, Jespers W, IJzerman AP, van der Water B, van Westen GJP.
Béquignon OJM, et al.
J Cheminform. 2023 Jan 6;15(1):3. doi: 10.1186/s13321-022-00672-x.
J Cheminform. 2023.
PMID: 36609528
Free PMC article.
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Impact of cancer-associated mutations in CC chemokine receptor 2 on receptor function and antagonism.
den Hollander LS, Béquignon OJM, Wang X, van Wezel K, Broekhuis J, Gorostiola González M, de Visser KE, IJzerman AP, van Westen GJP, Heitman LH.
den Hollander LS, et al. Among authors: bequignon ojm.
Biochem Pharmacol. 2023 Feb;208:115399. doi: 10.1016/j.bcp.2022.115399. Epub 2022 Dec 26.
Biochem Pharmacol. 2023.
PMID: 36581051
Free article.
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Hypoxia Triggers TAZ Phosphorylation in Basal A Triple Negative Breast Cancer Cells.
Liu Q, Stel WV, Noord VEV, Leegwater H, Coban B, Elbertse K, Pruijs JTM, Béquignon OJM, Westen GV, Dévédec SEL, Danen EHJ.
Liu Q, et al. Among authors: bequignon ojm.
Int J Mol Sci. 2022 Sep 4;23(17):10119. doi: 10.3390/ijms231710119.
Int J Mol Sci. 2022.
PMID: 36077517
Free PMC article.
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Structure Kinetics Relationships and Molecular Dynamics Show Crucial Role for Heterocycle Leaving Group in Irreversible Diacylglycerol Lipase Inhibitors.
Janssen APA, van Hengst JMA, Béquignon OJM, Deng H, van Westen GJP, van der Stelt M.
Janssen APA, et al. Among authors: bequignon ojm.
J Med Chem. 2019 Sep 12;62(17):7910-7922. doi: 10.1021/acs.jmedchem.9b00686. Epub 2019 Aug 30.
J Med Chem. 2019.
PMID: 31437392
Free PMC article.
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