A metadynamics perspective on the reduction mechanism of the Pt(IV) asplatin prodrug

Fortuna Ponte, GiovanniMaria Piccini, Emilia Sicilia, Michele Parrinello

Abstract: Pt(IV) complexes are an emerging novel class of anticancer drugs. Aiming at contributing to the elucidation of the mechanism of the key reduction step of Pt(IV) prodrugs, the activation by reduction ...