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Docking and molecular dynamics studies of peripheral site ligand-oximes as reactivators of sarin-inhibited human acetylcholinesterase.
J Biomol Struct Dyn. 2016 Dec;34(12):2632-2642. doi: 10.1080/07391102.2015.1124807. Epub 2016 May 9.
J Biomol Struct Dyn. 2016.
PMID: 26612005
Virtual screening, docking, and dynamics of potential new inhibitors of dihydrofolate reductase from Yersinia pestis.
Bastos Lda C, de Souza FR, Guimarães AP, Sirouspour M, Cuya Guizado TR, Forgione P, Ramalho TC, França TC.
Bastos Lda C, et al. Among authors: cuya guizado tr.
J Biomol Struct Dyn. 2016 Oct;34(10):2184-98. doi: 10.1080/07391102.2015.1110832. Epub 2016 Jan 11.
J Biomol Struct Dyn. 2016.
PMID: 26494420
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Structure-based de novo design, molecular docking and molecular dynamics of primaquine analogues acting as quinone reductase II inhibitors.
Murce E, Cuya-Guizado TR, Padilla-Chavarria HI, França TCC, Pimentel AS.
Murce E, et al. Among authors: cuya guizado tr.
J Mol Graph Model. 2015 Nov;62:235-244. doi: 10.1016/j.jmgm.2015.10.001. Epub 2015 Oct 17.
J Mol Graph Model. 2015.
PMID: 26521207
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Dynamics of heme complexed with human serum albumin: a theoretical approach.
Cuya Guizado TR, Louro SR, Anteneodo C.
Cuya Guizado TR, et al.
Eur Biophys J. 2012 Dec;41(12):1033-42. doi: 10.1007/s00249-012-0860-2. Epub 2012 Oct 27.
Eur Biophys J. 2012.
PMID: 23104623
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Hydration of hydrophobic biological porphyrins.
Cuya Guizado TR, Louro SR, Anteneodo C.
Cuya Guizado TR, et al.
J Chem Phys. 2011 Feb 7;134(5):055103. doi: 10.1063/1.3544376.
J Chem Phys. 2011.
PMID: 21303163
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