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Interactions of the DNA Repair Enzyme Human Thymine DNA Glycosylase with Cognate and Noncognate DNA.

Kanaan N, Imhof P. Kanaan N, et al. Biochemistry. 2018 Oct 2;57(39):5654-5665. doi: 10.1021/acs.biochem.8b00409. Epub 2018 Sep 20. Biochemistry. 2018. PMID: 30067350

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SPARC/SFN interaction, suppresses type I collagen in dermal fibroblasts.

Chavez-Muñoz C, Hartwell R, Jalili RB, Jafarnejad SM, Lai A, Nabai L, Ghaffari A, Hojabrpour P, Kanaan N, Duronio V, Guns E, Cherkasov A, Ghahary A. Chavez-Muñoz C, et al. Among authors: kanaan n. J Cell Biochem. 2012 Aug;113(8):2622-32. doi: 10.1002/jcb.24137. J Cell Biochem. 2012. PMID: 22422640

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Characterization of a new class of androgen receptor antagonists with potential therapeutic application in advanced prostate cancer.

Li H, Hassona MD, Lack NA, Axerio-Cilies P, Leblanc E, Tavassoli P, Kanaan N, Frewin K, Singh K, Adomat H, Böhm KJ, Prinz H, Guns ET, Rennie PS, Cherkasov A. Li H, et al. Among authors: kanaan n. Mol Cancer Ther. 2013 Nov;12(11):2425-35. doi: 10.1158/1535-7163.MCT-13-0267. Epub 2013 Aug 12. Mol Cancer Ther. 2013. PMID: 23939374 Free article.

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Temperature dependence of the kinetic isotope effects in thymidylate synthase. A theoretical study.

Kanaan N, Ferrer S, Martí S, Garcia-Viloca M, Kohen A, Moliner V. Kanaan N, et al. J Am Chem Soc. 2011 May 4;133(17):6692-702. doi: 10.1021/ja1114369. Epub 2011 Apr 8. J Am Chem Soc. 2011. PMID: 21476498 Free PMC article.

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QM/MM simulations for methyl transfer in solution and catalysed by COMT: ensemble-averaging of kinetic isotope effects.

Kanaan N, Ruiz Pernía JJ, Williams IH. Kanaan N, et al. Chem Commun (Camb). 2008 Dec 14;(46):6114-6. doi: 10.1039/b814212b. Epub 2008 Oct 29. Chem Commun (Camb). 2008. PMID: 19082090

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QM/MM study of thymidylate synthase: enzymatic motions and the temperature dependence of the rate limiting step.

Kanaan N, Martí S, Moliner V, Kohen A. Kanaan N, et al. J Phys Chem A. 2009 Mar 12;113(10):2176-82. doi: 10.1021/jp810548d. J Phys Chem A. 2009. PMID: 19182971 Free PMC article.

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A quantum mechanics/molecular mechanics study of the protein-ligand interaction of two potent inhibitors of human O-GlcNAcase: PUGNAc and NAG-thiazoline.

Lameira J, Alves CN, Moliner V, Martí S, Kanaan N, Tuñón I. Lameira J, et al. Among authors: kanaan n. J Phys Chem B. 2008 Nov 13;112(45):14260-6. doi: 10.1021/jp804626j. Epub 2008 Oct 22. J Phys Chem B. 2008. PMID: 18939790

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Mechanism of the Glycosidic Bond Cleavage of Mismatched Thymine in Human Thymine DNA Glycosylase Revealed by Classical Molecular Dynamics and Quantum Mechanical/Molecular Mechanical Calculations.

Kanaan N, Crehuet R, Imhof P. Kanaan N, et al. J Phys Chem B. 2015 Sep 24;119(38):12365-80. doi: 10.1021/acs.jpcb.5b05496. Epub 2015 Sep 10. J Phys Chem B. 2015. PMID: 26320595

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A quantum mechanics/molecular mechanics study of the catalytic mechanism of the thymidylate synthase.

Kanaan N, Martí S, Moliner V, Kohen A. Kanaan N, et al. Biochemistry. 2007 Mar 27;46(12):3704-13. doi: 10.1021/bi061953y. Epub 2007 Mar 1. Biochemistry. 2007. PMID: 17328531

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Base flip in DNA studied by molecular dynamics simulationsof differently-oxidized forms of methyl-Cytosine.

Helabad MB, Kanaan N, Imhof P. Helabad MB, et al. Among authors: kanaan n. Int J Mol Sci. 2014 Jul 3;15(7):11799-816. doi: 10.3390/ijms150711799. Int J Mol Sci. 2014. PMID: 24995694 Free PMC article.

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