A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug. - Fortuna Ponte; GiovanniMaria Piccini; Emilia Sicilia; Michele Parrinello (J. Comput. Chem., 2020)

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)