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Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules.
Phys Chem Chem Phys. 2022 May 18;24(19):11510-11519. doi: 10.1039/d2cp00214k.
Phys Chem Chem Phys. 2022.
PMID: 35362496
Computational Studies on the Binding Preferences of Molybdenum(II) Phenanthroline Complexes with Duplex DNA. The Important Role of the Ancillary Ligands.
Elleuchi S, Ortiz de Luzuriaga I, Sanchez-Gonzalez Á, Lopez X, Jarraya K, Calhorda MJ, Gil A.
Elleuchi S, et al.
Inorg Chem. 2020 Sep 8;59(17):12711-12721. doi: 10.1021/acs.inorgchem.0c01793. Epub 2020 Aug 7.
Inorg Chem. 2020.
PMID: 32806012
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New Insights on the Interaction of Phenanthroline Based Ligands and Metal Complexes and Polyoxometalates with Duplex DNA and G-Quadruplexes.
Sánchez-González Á, Bandeira NAG, Ortiz de Luzuriaga I, Martins FF, Elleuchi S, Jarraya K, Lanuza J, Lopez X, Calhorda MJ, Gil A.
Sánchez-González Á, et al. Among authors: elleuchi s.
Molecules. 2021 Aug 5;26(16):4737. doi: 10.3390/molecules26164737.
Molecules. 2021.
PMID: 34443326
Free PMC article.
Review.
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