| Excited state geometries and vertical emission energies of solvated dyes for DSSC: a PCM/TD-DFT benchmark study C Bernini, L Zani, M Calamante, G Reginato, A Mordini, M Taddei, ... Journal of Chemical theory and Computation 10 (9), 3925-3933, 2014 | 88 | 2014 |
| Effects of the Protein Environment on the Spectral Properties of Tryptophan Radicals in Pseudomonas aeruginosa Azurin C Bernini, T Andruniów, M Olivucci, R Pogni, R Basosi, A Sinicropi Journal of the American Chemical Society 135 (12), 4822-4833, 2013 | 36 | 2013 |
| EPR parameters of amino acid radicals in P. eryngii versatile peroxidase and its W164Y variant computed at the QM/MM level C Bernini, R Pogni, FJ Ruiz-Duenas, AT Martínez, R Basosi, A Sinicropi Physical Chemistry Chemical Physics 13 (11), 5078-5098, 2011 | 34 | 2011 |
| Synthesis, spectroscopic and DFT structural characterization of two novel ruthenium (III) oxicam complexes. In vivo evaluation of anti-inflammatory and gastric damaging activities G Tamasi, C Bernini, G Corbini, NF Owens, L Messori, F Scaletti, L Massai, ... Journal of Inorganic Biochemistry 134, 25-35, 2014 | 26 | 2014 |
| The nature of tryptophan radicals involved in the long‐range electron transfer of lignin peroxidase and lignin peroxidase‐like systems: Insights from quantum mechanical … C Bernini, R Pogni, R Basosi, A Sinicropi Proteins: Structure, Function, and Bioinformatics 80 (5), 1476-1483, 2012 | 24 | 2012 |
| Tyrosine or Tryptophan? Modifying a Metalloradical Catalytic Site by Removal of the Cys–Tyr Cross‐Link in the Galactose 6‐Oxidase Homologue GlxA AK Chaplin, C Bernini, A Sinicropi, R Basosi, JAR Worrall, ... Angewandte Chemie International Edition 56 (23), 6502-6506, 2017 | 15 | 2017 |
| Insights into the homocoupling reaction of 4-methylamino benzoic acid mediated by Trametes versicolor laccase A Martorana, C Bernini, D Valensin, A Sinicropi, R Pogni, R Basosi, ... Molecular BioSystems 7 (11), 2967-2969, 2011 | 15 | 2011 |
| A novel biomimetic photochemical switch at work: design of a photomodulable peptide A Sinicropi, C Bernini, R Basosia, M Olivucci Photochemical & Photobiological Sciences 8, 1639-1649, 2009 | 15 | 2009 |
| In silico spectroscopy of tryptophan and tyrosine radicals involved in the long-range electron transfer of cytochrome c peroxidase C Bernini, E Arezzini, R Basosi, A Sinicropi The Journal of Physical Chemistry B 118 (32), 9525-9537, 2014 | 13 | 2014 |
| Tyrosyl Radical in the W164Y Mutant of P. eryngii Versatile Peroxidase: an EPR and DFT/PCM Study C Bernini, A Sinicropi, R Basosi, R Pogni Applied Magnetic Resonance 37 (1), 279-288, 2010 | 10 | 2010 |
| Prediction of hydrogen-bonding networks around tyrosyl radical in P. eryngii versatile peroxidase W164Y variants: a QM/MM MD study C Bernini, R Pogni, R Basosi, A Sinicropi Molecular Simulation 40 (6), 485-490, 2014 | 9 | 2014 |
| Computation informed selection of parameters for protein radical EPR spectra simulation DA Svistunenko, M Adelusi, M Dawson, P Robinson, C Bernini, ... Studia UBB Chemia 56 (3), 135-146, 2011 | 7 | 2011 |
| Computational Spectroscopy of Protein Radicals in Cytochrome c Peroxidase C Bernini, E Arezzini, R Basosi, A Sinicropi XXV CONGRESSO DELLA SOCIETA'CHIMICA ITALIANA, 469-469, 2014 | | 2014 |
| In silico prediction of excited state properties of organic sensitizers for DSSC C Bernini, L Zani, M Calamante, G Reginato, A Mordini, M Taddei, ... XXV CONGRESSO DELLA SOCIETA'CHIMICA ITALIANA, 839-839, 2014 | | 2014 |
| Excited state properties of organic sensitizers for DSSC evaluated at the PCM/TD-DFT level C Bernini, L Zani, M Calamante, G Reginato, A Mordini, M Taddei, ... EMORY@ UNISI CHEMISTRY FOR LIFE AND ENVIRONMENT, 14-14, 2014 | | 2014 |
| Triptophan and Tyrosine radicals mediating ET processes in peroxidases and blue copper proteins C Bernini, E Arezzini, R Pogni, M Olivucci, R Basosi, A Sinicropi ET4HEALTH 2013, 53-53, 2013 | | 2013 |
| EPR, UV-VIS and RR spectral parameter shifts of tryptophan radicals embedded in contrasting hydrophobic and hydrophilic environments computed from QM/MM Models of Pseudomonas … C Bernini, T Andruniów, M Olivucci, R Pogni, R Basosi, A Sinicropi XXI CONGRESSO INTERREGIONALE TUMA, 2012 | | 2012 |
| STUDIO COMPUTAZIONALE DI RADICALI AMMINOACIDICI COINVOLTI IN CAMMINI DI TRASFERIMENTO ELETTRONICO IN PROTEINE A Sinicropi, C Bernini, R Pogni, R Basosi XXI CONGRESSO INTERREGIONALE TUMA 2012, 2012 | | 2012 |
| Immobilized fungal laccases for biotransformation processes D Spinelli, E Fatarella, A Martorana, C Bernini, A Sinicropi, MC Baratto, ... Oxizymes in Marseille, 110-110, 2012 | | 2012 |
| QM/MM characterization of redox-active Trp radicals in LiP and LiP-like systems C Bernini, R Pogni, R Basosi, A Sinicropi Primo Congresso Nazionale della Divisione di Chimica Teorica e …, 2012 | | 2012 |
