In a different approach, atomistic molecular dynamics (MD) simulations were utilized to study PC formation on dopamine-functionalized TiO2 NPs using two intracellular proteins overexpressed in cancer cells, nuclear protein poly(ADP-ribose) polymerase1 (PARP1) and heat shock protein 90 (HSP90).100 The simulations reveal that PARP1 corona residues contribute the most to the corona formation on cationic and neutral NPs under different pH conditions. This evidence concerns the gene PARP1 and cancer.