Iodido equatorial ligands influence on the mechanism of action of Pt(IV) and Pt(II) anti-cancer complexes: A DFT computational study. - Stefano Scoditti; Vincenzo Vigna; Eslam Dabbish; Emilia Sicilia (J. Comput. Chem., 2021)

Ruthenium complexes bearing nile red chromophore and one of its derivative: Theoretical evaluation of PDT-related properties. - Pierraffaele Barretta; Stefano Scoditti; Daniele Belletto; Fortuna Ponte; Vincenzo Vigna; Gloria Mazzone; Emilia Sicilia (J. Comput. Chem., 2024)

Computational assessment of the use of graphene-based nanosheets as PtII chemotherapeutics delivery systems. - Daniele Belletto; Vincenzo Vigna; Pierraffaele Barretta; Fortuna Ponte; Gloria Mazzone; Stefano Scoditti; Emilia Sicilia (J. Comput. Chem., 2024)

Machine Learning-Based Prediction of Reduction Potentials for PtIV Complexes. - Vincenzo Vigna; Tânia F. G. G. Cova; Sandra C. C. Nunes; A. A. C. C. Pais; Emilia Sicilia (J. Chem. Inf. Model., 2024)

Prediction of Pt, Ir, Ru, and Rh complexes light absorption in the therapeutic window for phototherapy using machine learning. - Vincenzo Vigna; Tânia F. G. G. Cova; A. A. C. C. Pais; Emilia Sicilia (J. Cheminformatics, 2025)