Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules.
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| Title: | Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules. |
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| Authors: | Ortiz de Luzuriaga I; CICnanoGUNE BRTA, Tolosa Hiribidea 76, E-20018, Donostia - San Sebastián, Spain. adria.gil.mestres@csic.es.; Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, Euskal Herriko Uniberstitatea, UPV/EHU, 20080 Donostia, Euskadi, Spain. xabier.lopez@ehu.es., Elleuchi S; Laboratoire de Chimie Inorganique, LR17ES07, Université de Sfax, Faculté de Sciences de Sfax, 3000 Sfax, Tunisia., Jarraya K; Laboratoire de Chimie Inorganique, LR17ES07, Université de Sfax, Faculté de Sciences de Sfax, 3000 Sfax, Tunisia., Artacho E; CICnanoGUNE BRTA, Tolosa Hiribidea 76, E-20018, Donostia - San Sebastián, Spain. adria.gil.mestres@csic.es.; Theory of Condensed Matter, Cavendish Laboratory, University of Cambridge, J. J. Thomson Ave., Cambridge CB3 0HE, UK.; Ikerbasque, Basque Foundation for Science, 48011 Bilbao, Spain.; Donostia International Physics Center, 20018 Donostia, Spain., López X; Polimero eta Material Aurreratuak: Fisika, Kimika eta Teknologia, Kimika Fakultatea, Euskal Herriko Uniberstitatea, UPV/EHU, 20080 Donostia, Euskadi, Spain. xabier.lopez@ehu.es.; Donostia International Physics Center, 20018 Donostia, Spain., Gil A; CICnanoGUNE BRTA, Tolosa Hiribidea 76, E-20018, Donostia - San Sebastián, Spain. adria.gil.mestres@csic.es.; ARAID Foundation, Zaragoza, Spain.; Departamento de Química Inorgánica, Instituto de Síntesis Química y Catálisis Homogénea (ISQCH) CSIC - Universidad de Zaragoza, C/Pedro Cerbuna 12, 50009, Zaragoza, Spain.; BioISI - Biosystems and Integrative Sciences Institute, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, 1749-016, Lisboa, Portugal. |
| Source: | Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2022 May 18; Vol. 24 (19), pp. 11510-11519. Date of Electronic Publication: 2022 May 18. |
| Publication Type: | Journal Article |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 100888160 Publication Model: Electronic Cited Medium: Internet ISSN: 1463-9084 (Electronic) Linking ISSN: 14639076 NLM ISO Abbreviation: Phys Chem Chem Phys Subsets: MEDLINE |
| Database: | MEDLINE Ultimate |
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