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Volume 127, 2004
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Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

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Abstract

In this paper we employ a CASSCF/AMBER quantum-mechanics/molecular-mechanics tool to map the intersection space (IS) of a protein. In particular, we provide evidence that the S1 excited-state potential-energy surface of the visual photoreceptor rhodopsin is spanned by an IS segment located right at the bottom of the surface. Analysis of the molecular structures of the protein chromophore (a protonated Schiff base of retinal) along IS reveals a type of geometrical deformation not observed in vacuo. Such a structure suggests that conical intersections mediating different photochemical reactions reside along the same intersection space. This conjecture is investigated by mapping the intersection space of the rhodopsin chromophore model 2-Z-hepta-2,4,6-trieniminium cation and of the conjugated hydrocarbon 3-Z-deca-1,3,5,6,7-pentaene.

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Publication details

The article was received on 24 Nov 2003, accepted on 13 Feb 2004 and first published on 14 May 2004


Article type: Paper
DOI: 10.1039/B315217K
Citation: Faraday Discuss., 2004,127, 179-191
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    Structure of the intersection space associated with Z/E photoisomerization of retinal in rhodopsin proteins

    A. Migani, A. Sinicropi, N. Ferré, A. Cembran, M. Garavelli and M. Olivucci, Faraday Discuss., 2004, 127, 179
    DOI: 10.1039/B315217K

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