Browsing by Author Bernini, Caterina

Showing results 1 to 11 of 11
Issue DateTitleAuthor(s)Third Mission
2011Computation informed selection of parameters for protein radical EPR spectra simulation.Svistunenko, D. A.; Adelusi, M.; Dawson, M.; Robinson, P.; Bernini, Caterina; Sinicropi, Adalgisa ; Basosi, Riccardo Not applicable
2013Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa AzurinBernini, Caterina; AndruniĆ³w, T.; Olivucci, Massimo ; Pogni, Rebecca ; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2011EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM levelBernini, Caterina; Pogni, Rebecca ; Ruiz Duenas, F. J.; Martinez, A. T.; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2014Excited state geometries and vertical emission energies of solvated dyes for DSSC: a PCM/TD-DFT benchmark studyBernini, Caterina; Zani, L.; Calamante, M.; Reginato, G.; Mordini, A.; Taddei, Maurizio ; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2014In silico spectroscopy of tryptophan and tyrosine radicals involved in the long-range electron transfer of Cytochrome c PeroxidaseBernini, Caterina; Arezzini, E.; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2011Insights into the Homocoupling Reaction of 4-Methylamino Benzoic Acid Mediated by Trametes Versicolor LaccaseMartorana, A.; Bernini, Caterina; Valensin, Daniela ; Sinicropi, Adalgisa ; Pogni, Rebecca ; Basosi, Riccardo ; Baratto, Maria Camilla Not applicable
2012The nature of tryptophan radicals involved in the long-range electron transfer of lignin peroxidase and lignin peroxidase-like systems: insights from quantum mechanical/molecular mechanics simulationsBernini, Caterina; Pogni, Rebecca ; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2009A novel biomimetic photochemical switch at work: design of a photomodulable peptideSinicropi, Adalgisa ; Bernini, Caterina; Basosi, Riccardo ; Olivucci, Massimo Not applicable
2014Prediction of hydrogen-bonding networks around tyrosyl radical in P. eryngii versatile peroxidase W164Y variants: a QM/MM MD studyBernini, Caterina; Pogni, Rebecca ; Basosi, Riccardo ; Sinicropi, Adalgisa Not applicable
2017Tyrosine or Tryptophan? Modifying a Metalloradical Catalytic Site by Removal of the Cys-Tyr Cross-Link in the galactose 6-oxidase homologue GlxAChaplin, Amanda K; Bernini, Caterina; Sinicropi, Adalgisa ; Basosi, Riccardo ; Worrall, Jonathan A R; Svistunenko, Dimitri ANot applicable
2010Tyrosyl Radical in the W164Y Mutant of P. eryngiiVersatile Peroxidase: an EPR and DFT/PCM StudyBernini, Caterina; Sinicropi, Adalgisa ; Basosi, Riccardo ; Pogni, Rebecca Not applicable