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Differential Deformability of the DNA Minor Groove and Altered BI/BII Backbone Conformational Equilibrium by the Monovalent Ions Li(+), Na(+), K(+) and Rb(+) via Water-Mediated Hydrogen Bonding

Recently, we reported the differential impact of the monovalent cations Li(+), Na(+), K(+) and Rb(+) on DNA conformational properties. These were identified from variations in the calculated solution-state X-ray DNA spectra as a function of the ion type in the solvation buffer in MD simulations usin...

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Detalhes bibliográficos
Publicado no:J Chem Theory Comput
Main Authors: Savelyev, Alexey, MacKerell, Alexander D.
Formato: Artigo
Idioma:Inglês
Publicado em: 2015
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC4654687/
https://ncbi.nlm.nih.gov/pubmed/26575937
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/acs.jctc.5b00508
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