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Molecular modeling of [VO(L1-4)(R)] complexes (R = bipyridine, phenanthroline): DFT study of antioxidant activity, DNA binding and evaluation of electron-donating and -withdrawing substituent groups.
J Mol Graph Model. 2023 Nov;124:108577. doi: 10.1016/j.jmgm.2023.108577. Epub 2023 Jul 29.
J Mol Graph Model. 2023.
PMID: 37536232
DFT calculations of copper complexes mimicking superoxide dismutase and docking studies and molecular dynamics of the transition metal complex binding to serum albumin.
Silva TUD, Silva ET, Albuquerque MG, Lima CHDS, Machado SP.
Silva TUD, et al.
J Biomol Struct Dyn. 2023 Sep 27:1-11. doi: 10.1080/07391102.2023.2259479. Online ahead of print.
J Biomol Struct Dyn. 2023.
PMID: 37753772
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