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A computational study of bulk porous two-dimensional polymers related to graphyne
ArticleAbstract: Over the last twelve years there has been an explosion in the area of reticular chemistry with severPalabras claves:Autores:Ángel Sánchez-González, Dobado J.A., Torneiro M.Fuentes:scopusFrom groove binding to intercalation: Unravelling the weak interactions and other factors modulating the modes of interaction between methylated phenanthroline-based drugs and duplex DNA
ArticleAbstract: Several antitumor drugs base their cytotoxicity on their capacity to intercalate between base pairsPalabras claves:Autores:Ángel Sánchez-González, Castro T.G., Gil A., Melle-Franco M.Fuentes:scopusUnravelling the binding affinity and selectivity of molybdenum(ii) phenanthroline complexes with DNA G-quadruplexes by using linear-scaling DFT studies. The important role of ancillary ligands
ArticleAbstract: We have used near linear-scaling density functional theory (LS-DFT) methods including dispersion, foPalabras claves:Autores:Ángel Sánchez-González, Gil A., Lopez X., Ortiz De Luzuriaga I., Synoradzki W.Fuentes:scopus