Regensburg 2007 – wissenschaftliches Programm
Bereiche | Tage | Auswahl | Suche | Downloads | Hilfe
BP: Fachverband Biologische Physik
BP 4: Protein Structure and Folding
BP 4.8: Vortrag
Montag, 26. März 2007, 19:15–19:30, H43
Electronic structure of proteins: extended building block model — •Volodymyr Maslyuk1, Ingrid Mertig1, Thomas Bredow2, Michael Mertig3, Denis Vyalikh4, and Serguei Molodtsov4 — 1Martin-Luther-Universität Halle-Wittenberg, Fachbereich Physik, D-06099 Halle, Germany — 2Institut für Physikalische und Theoretische Chemie, Universität Bonn, D-53115 Bonn, Germany — 3Max-Bergmann-Zentrum für Biomaterialien, Technische Universität Dresden, D-01062 Dresden, Germany — 4Institut für Festkörperphysik, Technische Universität Dresden, D-01062 Dresden, Germany
We report a novel approach for the calculation of the electronic density of states of proteins of huge biomolecules. The proposed model is based on the consideration of individual amino acids in the corresponding conformation of the peptide chain. The densities of sates (DOS) of the building blocks additively contribute to the electronic structure of the entire protein complex aligned at the charge-neutrality level [1] of the protein. The derived results agree well with experimental data obtained by means of photoemission (PE), resonant PE, and near-edge x-ray absorption spectroscopy. The model was applied to describe the electronic spectra of the surface protein layer (S-layer) of Bacillus sphaericus NCTC 9602. [1] H. Vázquez et al., Europhys. Lett. 65, 802 (2004); H. Vázquez et al., Appl. Surf. Sci. 234, 108 (2004); H. Vázquez et al., Phys. Rev. B 71, 041306(R)(2005).