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Selected Publication:
SHR Neuro Cancer Cardio Lipid Metab Microb
Avagliano, D; Sánchez-Murcia, PA; González, L.
DNA-binding mechanism of spiropyran photoswitches: the role of electrostatics.
Phys Chem Chem Phys. 2019; 21(17):8614-8618
Doi: 10.1039/c8cp07508e
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- Leading authors Med Uni Graz
- Sánchez Murcia Pedro Alejandro
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- Abstract:
- 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 design of spiropyran photoswitches with specific binding modes to DNA.