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Träfflista för sökning "L773:1367 5931 OR L773:1879 0402 srt2:(2000-2004)"

Search: L773:1367 5931 OR L773:1879 0402 > (2000-2004)

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1.
  • Noodleman, L., et al. (author)
  • Insights into properties and energetics of iron-sulfur proteins from simple clusters to nitrogenase
  • 2002
  • In: Current opinion in chemical biology. - 1367-5931 .- 1879-0402. ; 6:2, s. 259-273
  • Research review (peer-reviewed)abstract
    • Some of the principal physical features of iron-sulfur clusters in proteins are analyzed, including metal-ligand covalency, spin polarization, spin coupling, valence delocalization, valence interchange and small reorganization energies, with emphasis on recent spectroscopic and theoretical work. The current state of structural, spectroscopic, and computational knowledge for the iron-sulfur clusters in the nitrogenase iron and iron-molybdenum proteins is examined by comparison and contrast to 'simpler' iron-sulfur clusters. The differing interactions of the nitrogenase iron and iron-molybdenum clusters compared with those of other iron-sulfur clusters with the protein and solvent environment are also explored.
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2.
  • Ryde, Ulf (author)
  • Combined quantum and molecular mechanics calculations on metalloproteins.
  • 2003
  • In: Current Opinion in Chemical Biology. - 1879-0402. ; 7:1, s. 136-142
  • Research review (peer-reviewed)abstract
    • The combination of quantum mechanics and molecular mechanics (QM/MM) methods is one of the most promising approaches to study the structure, function and properties of proteins. The number of QM/MM applications on metalloproteins is steadily increasing, especially studies with density functional methods on redox-active metal centres. Recent developments include new parameterised methods to treat covalent bonds between the quantum and classical systems, methods to obtain free energy from QM/MM results, and the combination of quantum chemistry and protein crystallography.
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  • Result 1-2 of 2
Type of publication
research review (2)
Type of content
peer-reviewed (2)
Author/Editor
Himo, Fahmi (1)
Ryde, Ulf (1)
Liu, T. Q. (1)
Noodleman, L. (1)
Lovell, T. (1)
Torres, R. A. (1)
University
Royal Institute of Technology (1)
Lund University (1)
Language
English (2)
Research subject (UKÄ/SCB)
Natural sciences (1)

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