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A ligand's-eye view of protein similarity.
van Westen GJ, Overington JP. van Westen GJ, et al. Nat Methods. 2013 Feb;10(2):116-7. doi: 10.1038/nmeth.2339. Nat Methods. 2013. PMID: 23361090 No abstract available.
Collaborative SAR Modeling and Prospective In Vitro Validation of Oxidative Stress Activation in Human HepG2 Cells.
Béquignon OJM, Gómez-Tamayo JC, Lenselink EB, Wink S, Hiemstra S, Lam CC, Gadaleta D, Roncaglioni A, Norinder U, Water BV, Pastor M, van Westen GJP. Béquignon OJM, et al. Among authors: van westen gjp. 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.
UnCorrupt SMILES: a novel approach to de novo design.
Schoenmaker L, Béquignon OJM, Jespers W, van Westen GJP. Schoenmaker L, et al. J Cheminform. 2023 Feb 14;15(1):22. doi: 10.1186/s13321-023-00696-x. J Cheminform. 2023. PMID: 36788579 Free PMC article.
Preclinical evaluation of EpCAM-binding designed ankyrin repeat proteins (DARPins) as targeting moieties for bimodal near-infrared fluorescence and photoacoustic imaging of cancer.
Houvast RD, Badr N, March T, de Muynck LDAN, Sier VQ, Schomann T, Bhairosingh S, Baart VM, Peeters JAHM, van Westen GJP, Plückthun A, Burggraaf J, Kuppen PJK, Vahrmeijer AL, Sier CFM. Houvast RD, et al. Among authors: van westen gjp. Eur J Nucl Med Mol Imaging. 2023 Aug 29. doi: 10.1007/s00259-023-06407-w. Online ahead of print. Eur J Nucl Med Mol Imaging. 2023. PMID: 37642704
Artificial intelligence in multi-objective drug design.
Luukkonen S, van den Maagdenberg HW, Emmerich MTM, van Westen GJP. Luukkonen S, et al. Curr Opin Struct Biol. 2023 Apr;79:102537. doi: 10.1016/j.sbi.2023.102537. Epub 2023 Feb 10. Curr Opin Struct Biol. 2023. PMID: 36774727 Free article. Review.
112 results