scholarly journals Binding mechanism of uranyl to transferrin implicated by density functional theory study

RSC Advances ◽  
2017 ◽  
Vol 7 (7) ◽  
pp. 3667-3675 ◽  
Author(s):  
Meng Wang ◽  
Wanjian Ding ◽  
Dongqi Wang
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Serum Transferrin ◽  
Density Functional Theory Study ◽  
Binding Mechanism ◽  
Functional Theory ◽  
Stepwise Mechanism

The binding of uranyl to serum transferrin follows a Tyr* → Tyr* → Asp* stepwise mechanism.

Binuclear ethylenedithiolate iron carbonyls: A density functional theory study

2021 ◽  
Vol 519 ◽  
pp. 120260
Author(s):  
Luana-Flavia Radu ◽  
Amr A.A. Attia ◽  
Radu Silaghi-Dumitrescu ◽  
Alexandru Lupan ◽  
R. Bruce King
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Density Functional Theory Study ◽  
Functional Theory ◽  
Iron Carbonyls
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