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Role of Structural Dynamics in Selectivity and Mechanism of Non-heme Fe(II) and 2-Oxoglutarate-Dependent Oxygenases Involved in DNA Repair

[Image: see text] AlkB and its human homologue AlkBH2 are Fe(II)- and 2-oxoglutarate (2OG)-dependent oxygenases that repair alkylated DNA bases occurring as a consequence of reactions with mutagenic agents. We used molecular dynamics (MD) and combined quantum mechanics/molecular mechanics (QM/MM) me...

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Detalles Bibliográficos
Autores principales:	Waheed, Sodiq O., Ramanan, Rajeev, Chaturvedi, Shobhit S., Lehnert, Nicolai, Schofield, Christopher J., Christov, Christo Z., Karabencheva-Christova, Tatyana G.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7256942/ https://www.ncbi.nlm.nih.gov/pubmed/32490196 http://dx.doi.org/10.1021/acscentsci.0c00312

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