“Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulations”

Nochebuena, J.; Quintanar, L.; Vela, A.; Cisneros, G. A. “Structural and electronic analysis of the octarepeat region of prion protein with four Cu2+ by polarizable MD and QM/MM simulations” Phys. Chem. Chem. Phys. 2021, 23, 21568. 

https://doi.org/10.1039/d1cp03187b