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QM/MM Study of Rhodopsin

In: High Performance Computing in Science and Engineering, Munich 2002

Author

Listed:
  • Ute F. Röhrig

    (ETH Zürich, Laboratory of Inorganic Chemistry
    Department Chemie)

  • Christel Nonnenberg

    (Department Chemie)

  • Irmgard Frank

    (Department Chemie)

  • Leonardo Guidoni

    (ETH Zürich, Laboratory of Inorganic Chemistry)

  • Ursula Röthlisberger

    (ETH Zürich, Laboratory of Inorganic Chemistry)

Abstract

The investigation of the first step of vision is a long-standing problem in theoretical chemistry [1]. It has been text-book knowledge for a long time [2,3,4], that irradiation of the retina protein rhodopsin with light in the visible range induces a cis-trans isomerization at the C11-C12 double bond of the chromophore, i.e. of the light-absorbing part of the protein (Fig. 1). However, it is extremely difficult to study the reaction mechanism in full detail on experimental basis. The consecutive signal transduction cascade that finally leads to a neuron signal also still poses many questions.

Suggested Citation

  • Ute F. Röhrig & Christel Nonnenberg & Irmgard Frank & Leonardo Guidoni & Ursula Röthlisberger, 2003. "QM/MM Study of Rhodopsin," Springer Books, in: Siegfried Wagner & Arndt Bode & Werner Hanke & Franz Durst (ed.), High Performance Computing in Science and Engineering, Munich 2002, pages 127-134, Springer.
    • Handle: RePEc:spr:sprchp:978-3-642-55526-8_11
    DOI: 10.1007/978-3-642-55526-8_11
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