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Redox-Based Defect Detection in Packed DNA: Insights from Hybrid Quantum Mechanical/Molecular Mechanics Molecular Dynamics Simulations

[Image: see text] The impact of an 8-oxoguanine (8oxoG) defect on the redox properties of DNA within the nucleosome core particle (NCP) was investigated employing hybrid quantum mechanical/molecular mechanics (QM/MM) molecular dynamics simulations of native and 8oxoG-containing NCP systems with an e...

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Detalles Bibliográficos
Autores principales:	Kılıç, Murat, Diamantis, Polydefkis, Johnson, Sophia K., Toth, Oliver, Rothlisberger, Ursula
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2023
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10687876/ https://www.ncbi.nlm.nih.gov/pubmed/37963372 http://dx.doi.org/10.1021/acs.jctc.3c01013

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