Organoruthenium compds. have emerged as promising novel anticancer agents but very little is known about their mol. mechanism of action. Here, we present classical and mixed QM/MM first-principles MD simulations of two ruthenium(II) compds. and their binding to DNA. [on SciFinder (R)]
Martinus Gijs, Thomas Lehnert, Lin Sun
Ursula Röthlisberger, Ivano Tavernelli, Polydefkis Diamantis