Broken Symmetry DFT Calculations/Analysis for Oxidized and Reduced Dinuclear Center in Cytochrome c Oxidase: Relating Structures, Protonation States, Energies, and Mössbauer Properties in ba(3)Thermus thermophilus

Antzeko izenburuak

• A Broken-Symmetry Density Functional Study of Structures, Energies, and Protonation States along the Catalytic O-O Bond Cleavage Pathway in ba(3) Cytochrome c Oxidase from Thermus thermophilus
  nork: Du, Wen-Ge Han, et al.
  Argitaratua: (2016)
• Linking Chemical Electron–Proton Transfer to Proton Pumping in Cytochrome c Oxidase: Broken-Symmetry DFT Exploration of Intermediates along the Catalytic Reaction Pathway of the Iron–Copper Dinuclear Complex
  nork: Noodleman, Louis, et al.
  Argitaratua: (2014)
• Toward a chemical mechanism of proton pumping by the B-type cytochrome c oxidases: Application of Density Functional Theory to cytochrome ba(3) of Thermus thermophilus
  nork: Fee, James A., et al.
  Argitaratua: (2008)
• Electron and Proton Transfer in the ba(3) oxidase from Thermus thermophilus
  nork: Smirnova, Irina A., et al.
  Argitaratua: (2008)
• A Density Functional Study for the Bridged Dinuclear Center Based on a High Resolution X-ray Crystal Structure of ba(3) Cytochrome c Oxidase from Thermus thermophilus
  nork: Du, Wen-Ge Han, et al.
  Argitaratua: (2013)