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Antioxidant capacity of simplified oxygen heterocycles and proposed derivatives by theoretical calculations.
J Mol Model. 2023 Jul 6;29(8):232. doi: 10.1007/s00894-023-05602-8.
J Mol Model. 2023.
PMID: 37407749
Chemical profile of Lippia thymoides, evaluation of the acetylcholinesterase inhibitory activity of its essential oil, and molecular docking and molecular dynamics simulations.
Silva SG, da Costa RA, de Oliveira MS, da Cruz JN, Figueiredo PLB, Brasil DDSB, Nascimento LD, Chaves Neto AMJ, de Carvalho Junior RN, Andrade EHA.
Silva SG, et al. Among authors: chaves neto amj.
PLoS One. 2019 Mar 8;14(3):e0213393. doi: 10.1371/journal.pone.0213393. eCollection 2019.
PLoS One. 2019.
PMID: 30849129
Free PMC article.
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Involvement of electron and hydrogen transfers through redox metabolism on activity and toxicity of the nimesulide.
Borges RS, Oliveira JP, Matos RF, Chaves Neto AM, Carneiro AS, Monteiro MC.
Borges RS, et al.
J Mol Model. 2015 Jul;21(7):166. doi: 10.1007/s00894-015-2712-3. Epub 2015 Jun 6.
J Mol Model. 2015.
PMID: 26044360
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