Author/Authors :
Yalovega، نويسنده , , Galina and Smolentsev، نويسنده , , Grigory and Soldatov، نويسنده , , Alexander and Chan، نويسنده , , Jayna and Stillman، نويسنده , , Martin، نويسنده ,
Abstract :
Cadmium-metallothioneins (Cd-MT) are small proteins containing seven cadmium atoms in a tetrahedral arrangement of sulfur atoms. Comparison of experimental X-ray absorption fine structure (XAFS) with theoretical full multiple-scattering XAFS spectra have been used as a tool for verification of the structural models generated using both available experimental NMR data and theoretical simulations on the basis of molecule mechanics/molecular dynamics (MM/MD) and density functional theory (DFT).
