Dynamic Structure and Stability of DNA Duplexes Bearing a Dinuclear Hg(II)-Mediated Base Pair

Quantum mechanical (QM) and hybrid quantum mechanical/molecular mechanical (QM/MM) molecular dynamics simulations of a recently reported dinuclear mercury(II)-mediated base pair were performed aiming to analyse its intramolecular bonding pattern, its stability, and to obtain clues on the mechanism o...

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Detalles Bibliográficos
Autores principales: Bachmann, Jim, Schönrath, Isabell, Müller, Jens, Doltsinis, Nikos L.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663159/
https://www.ncbi.nlm.nih.gov/pubmed/33114568
http://dx.doi.org/10.3390/molecules25214942

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7663159/
https://www.ncbi.nlm.nih.gov/pubmed/33114568
http://dx.doi.org/10.3390/molecules25214942

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