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Mechanism of covalent binding of ibrutinib to Bruton's tyrosine kinase revealed by QM/MM calculations.
Chem Sci. 2021 Jan 28;12(15):5511-5516. doi: 10.1039/d0sc06122k.
Chem Sci. 2021.
PMID: 33995994
Free PMC article.
Limitations of Ligand-Only Approaches for Predicting the Reactivity of Covalent Inhibitors.
Voice A, Tresadern G, van Vlijmen H, Mulholland A.
Voice A, et al.
J Chem Inf Model. 2019 Oct 28;59(10):4220-4227. doi: 10.1021/acs.jcim.9b00404. Epub 2019 Sep 24.
J Chem Inf Model. 2019.
PMID: 31498988
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Probing the excited state relaxation dynamics of pyrimidine nucleosides in chloroform solution.
Röttger K, Marroux HJ, Böhnke H, Morris DT, Voice AT, Temps F, Roberts GM, Orr-Ewing AJ.
Röttger K, et al. Among authors: voice at.
Faraday Discuss. 2016 Dec 16;194:683-708. doi: 10.1039/c6fd00068a.
Faraday Discuss. 2016.
PMID: 27711889
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