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The role of glutathione in cadmium ion detoxification: coordination modes and binding properties--a density functional study.
In this investigation the reduced form of glutathione molecule (GSH) was considered as a model in the coordination chemistry of Cd(2+) and group thiol-containing peptides. Three different forms ofExpand
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Interaction of cysteine with Cu2+ and group IIb (Zn2+, Cd2+, Hg2+) metal cations: a theoretical study.
The structure and energetics of complexes obtained upon interaction between cysteine and Zn2+, Cd2+, Hg2+ and Cu2+ cations were studied using quantum chemical density functional theory calculationsExpand
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On the Use of Density Functional Theory in the Study of Metal-Ligand Interactions. Some Studied Cases
Some illustrative cases of the performance of density functional theory in the investigation of the metal-ligand interactions are presented. The reported cases concern different fields includingExpand
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