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List of works by Raffaella Breglia

A theoretical study on the reactivity of the Mo/Cu-containing carbon monoxide dehydrogenase with dihydrogen.

scientific article published on 19 December 2016

Catalytic Mechanism of Fungal Lytic Polysaccharide Monooxygenases Investigated by First-Principles Calculations.

scientific article

Copper ion interaction with the RNase catalytic site fragment of the angiogenin protein: an experimental and theoretical investigation.

scientific article published on 21 June 2017

First-Principles Calculations on Ni,Fe-Containing Carbon Monoxide Dehydrogenases Reveal Key Stereoelectronic Features for Binding and Release of CO<sub>2</sub> to/from the C-Cluster

scientific article published on 15 December 2020

Reactivation of the Ready and Unready Oxidized States of [NiFe]-Hydrogenases: Mechanistic Insights from DFT Calculations

scientific article published on 21 December 2018

The large subunit of the regulatory [NiFe]-hydrogenase from <i>Ralstonia eutropha</i> - a minimal hydrogenase?

scientific article published on 27 April 2020

Theoretical insights into [NiFe]-hydrogenases oxidation resulting in a slowly reactivating inactive state.

scientific article published on 21 November 2016

Theoretical investigation of aerobic and anaerobic oxidative inactivation of the [NiFe]-hydrogenase active site

scientific article published on 21 December 2017

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