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A novel series of cysteine-dependent, allosteric inverse agonists of the nuclear receptor RORγt.
Bioorg Med Chem Lett. 2020 Mar 15;30(6):126967. doi: 10.1016/j.bmcl.2020.126967. Epub 2020 Jan 15.
Bioorg Med Chem Lett. 2020.
PMID: 32005415
SAMPL7: Host-guest binding prediction by molecular dynamics and quantum mechanics.
Eken Y, Almeida NMS, Wang C, Wilson AK.
Eken Y, et al.
J Comput Aided Mol Des. 2021 Jan;35(1):63-77. doi: 10.1007/s10822-020-00357-3. Epub 2020 Nov 5.
J Comput Aided Mol Des. 2021.
PMID: 33150463
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Binding of Per- and Polyfluoroalkyl Substances to the Human Pregnane X Receptor.
Lai TT, Eken Y, Wilson AK.
Lai TT, et al. Among authors: eken y.
Environ Sci Technol. 2020 Dec 15;54(24):15986-15995. doi: 10.1021/acs.est.0c04651. Epub 2020 Nov 23.
Environ Sci Technol. 2020.
PMID: 33228354
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Binding of Per- and Polyfluoro-alkyl Substances to Peroxisome Proliferator-Activated Receptor Gamma.
Almeida NMS, Eken Y, Wilson AK.
Almeida NMS, et al. Among authors: eken y.
ACS Omega. 2021 Jun 4;6(23):15103-15114. doi: 10.1021/acsomega.1c01304. eCollection 2021 Jun 15.
ACS Omega. 2021.
PMID: 34151090
Free PMC article.
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SAMPL6 host-guest challenge: binding free energies via a multistep approach.
Eken Y, Patel P, Díaz T, Jones MR, Wilson AK.
Eken Y, et al.
J Comput Aided Mol Des. 2018 Oct;32(10):1097-1115. doi: 10.1007/s10822-018-0159-1. Epub 2018 Sep 17.
J Comput Aided Mol Des. 2018.
PMID: 30225724
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Chemical synthesis of human syndecan-4 glycopeptide bearing O-, N-sulfation and multiple aspartic acids for probing impacts of the glycan chain and the core peptide on biological functions.
Yang W, Eken Y, Zhang J, Cole LE, Ramadan S, Xu Y, Zhang Z, Liu J, Wilson AK, Huang X.
Yang W, et al. Among authors: eken y.
Chem Sci. 2020 May 11;11(25):6393-6404. doi: 10.1039/d0sc01140a.
Chem Sci. 2020.
PMID: 34094105
Free PMC article.
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Chemoenzymatic synthesis of glycopeptides bearing rare N-glycan sequences with or without bisecting GlcNAc.
Yang W, Ramadan S, Orwenyo J, Kakeshpour T, Diaz T, Eken Y, Sanda M, Jackson JE, Wilson AK, Huang X.
Yang W, et al. Among authors: eken y.
Chem Sci. 2018 Aug 31;9(43):8194-8206. doi: 10.1039/c8sc02457j. eCollection 2018 Nov 21.
Chem Sci. 2018.
PMID: 30542567
Free PMC article.
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