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Duplex DNA Retains the Conformational Features of Single Strands: Perspectives from MD Simulations and Quantum Chemical Computations

Molecular dynamics simulations and geometry optimizations carried out at the quantum level as well as by quantum mechanical/molecular mechanics methods predict that short, single-stranded DNA oligonucleotides adopt conformations very similar to those observed in crystallographic double-stranded B-DN...

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Detalles Bibliográficos
Autores principales:	Capobianco, Amedeo, Landi, Alessandro, Peluso, Andrea
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	MDPI 2022
Materias:	Article
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9697240/ https://www.ncbi.nlm.nih.gov/pubmed/36430930 http://dx.doi.org/10.3390/ijms232214452

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