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DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics

The binding mechanism of the protonated open form of three spiropyran derivatives into a 12-mer (poly-dAT)(2) has been unveiled by means of computational methods. It is found that the electrostatic term in the probe:DNA binding energy, modulates the binding mode, providing new guidelines for the des...

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Udgivet i:Phys Chem Chem Phys
Main Authors: Avagliano, Davide, Sánchez-Murcia, Pedro A., González, Leticia
Format: Artigo
Sprog:Inglês
Udgivet: Royal Society of Chemistry 2019
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC6484825/
https://ncbi.nlm.nih.gov/pubmed/30801589
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c8cp07508e
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