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Binding of BRACO19 to a Telomeric G-Quadruplex DNA Probed by All-Atom Molecular Dynamics Simulations with Explicit Solvent

Although BRACO19 is a potent G-quadruplex binder, its potential for clinical usage is hindered by its low selectivity towards DNA G-quadruplex over duplex. High-resolution structures of BRACO19 in complex with neither single-stranded telomeric DNA G-quadruplexes nor B-DNA duplex are available. In th...

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Detalles Bibliográficos
Autores principales:	Machireddy, Babitha, Sullivan, Holli-Joi, Wu, Chun
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2019
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6471034/ https://www.ncbi.nlm.nih.gov/pubmed/30871220 http://dx.doi.org/10.3390/molecules24061010

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