In this Thesis, fundamental aspects of zinc fingers (bio)chemistry are investigated in silico to rationalize their behaviour under oxidative conditions. The results obtained with our model systems nicely explain biochemical and biological evidence, at the same time assessing the key-role of elementary redox reactions in the complex protein environment.

In this Thesis, fundamental aspects of zinc fingers (bio)chemistry are investigated in silico to rationalize their behaviour under oxidative conditions. The results obtained with our model systems nicely explain biochemical and biological evidence, at the same time assessing the key-role of elementary redox reactions in the complex protein environment.

Reactivity of zinc fingers in oxidizing environments: insight from molecular models through activation strain analysis

ZEPPILLI, DAVIDE
2021/2022

Abstract

In this Thesis, fundamental aspects of zinc fingers (bio)chemistry are investigated in silico to rationalize their behaviour under oxidative conditions. The results obtained with our model systems nicely explain biochemical and biological evidence, at the same time assessing the key-role of elementary redox reactions in the complex protein environment.
2021
Reactivity of zinc fingers in oxidizing environments: insight from molecular models through activation strain analysis
In this Thesis, fundamental aspects of zinc fingers (bio)chemistry are investigated in silico to rationalize their behaviour under oxidative conditions. The results obtained with our model systems nicely explain biochemical and biological evidence, at the same time assessing the key-role of elementary redox reactions in the complex protein environment.
DFT
activation-strain
zinc fingers
thiols
selenium
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.12608/34920