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Development of parameters compatible with the CHARMM36 force field for [Fe4S4]2+ clusters and molecular dynamics simulations of adenosine-5'-phosphosulfate reductase in GROMACS 2019.
J Biomol Struct Dyn. 2022 May;40(8):3481-3491. doi: 10.1080/07391102.2020.1847687. Epub 2020 Nov 13.
J Biomol Struct Dyn. 2022.
PMID: 33183173
Electronic investigation of the effect of substituents on the SOD mimic activity of copper (II) complexes with 8-hydroxyquinoline-derived ligands.
da Silva TU, Pougy KC, da Silva ET, Lima CHDS, Machado SP.
da Silva TU, et al.
J Inorg Biochem. 2021 Apr;217:111359. doi: 10.1016/j.jinorgbio.2021.111359. Epub 2021 Jan 24.
J Inorg Biochem. 2021.
PMID: 33578252
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Molecular dynamics simulations of aqueous systems of inhibitor candidates for adenosine-5'-phosphosufate reductase.
da Silva TU, Pougy KC, Albuquerque MG, Lima CHDS, Machado SP.
da Silva TU, et al.
J Biomol Struct Dyn. 2023 Apr;41(6):2466-2477. doi: 10.1080/07391102.2022.2033137. Epub 2022 Feb 1.
J Biomol Struct Dyn. 2023.
PMID: 35100944
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Effects of the aldehyde-derived ring substituent on the properties of two new bioinspired trimethoxybenzoylhydrazones: methyl vs nitro groups.
Martins D, Lamosa R, da Silva TU, Ligiero CBP, de Paula Machado S, Cukierman DS, Rey NA.
Martins D, et al. Among authors: da silva tu.
Beilstein J Org Chem. 2023 Nov 10;19:1713-1727. doi: 10.3762/bjoc.19.125. eCollection 2023.
Beilstein J Org Chem. 2023.
PMID: 38025090
Free PMC article.
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The anti-inflammatory effects of resveratrol on human peripheral blood mononuclear cells are influenced by a superoxide dismutase 2 gene polymorphism.
Capeleto D, Barbisan F, Azzolin V, Dornelles EB, Rogalski F, Teixeira CF, Machado AK, Cadoná FC, da Silva T, Duarte T, Duarte MM, da Cruz IB.
Capeleto D, et al.
Biogerontology. 2015 Oct;16(5):621-30. doi: 10.1007/s10522-015-9561-4. Epub 2015 Mar 10.
Biogerontology. 2015.
PMID: 25753816
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