TY  - JOUR 
AU  - Aguilar Cuesta, Nuria
AU  - Rozas Azcona, Sara
AU  - Escamilla Roa, Elisabeth
AU  - Rumbo Lorenzo, Carlos
AU  - Martel Martín, Sonia
AU  - Barros García, Rocío
AU  - Marcos Villa, Pedro A.
AU  - Bol Arreba, Alfredo
AU  - Aparicio Martínez, Santiago
PY  - 2024
SN  - 2468-0230
UR  - http://hdl.handle.net/10259/9503
AB  - The aim of this theoretical study is to describe the relationship between the structure and the physicochemical properties of zinc oxide nanoparticles (ZnO NPs) and Mn doped ZnO NPs to assess their toxicological impact. In order to do so, a multiscale...
LA  - eng
PB  - Elsevier
KW  - Zinc oxide
KW  - Nanoparticles
KW  - Density Functional Theory
KW  - Molecular Dynamics
KW  - Protein docking
KW  - Cell membranes
KW  - Química física
KW  - Chemistry, Physical and theoretical
TI  - Theoretical multiscale study on the properties, aqueous solution behavior and biological impact of zinc oxide nanoparticles
DO  - 10.1016/j.surfin.2024.103965
T2  - Surfaces and Interfaces
VL  - 46
ER  -