The photochemical cis-trans isomerization of retinal in rhodopsin is investigated by structure sampling and excited state QM/MM trajectories with surface hopping. The calculations uncover the motions responsible for photoproduct formation and elucidate the reasons behind the efficient photoisomerization in the primary event of visual transduction.

Product Formation in Rhodopsin by Fast Hydrogen Motions

BOTTONI, ANDREA;ORLANDI, GIORGIO;GARAVELLI, MARCO
2011

Abstract

The photochemical cis-trans isomerization of retinal in rhodopsin is investigated by structure sampling and excited state QM/MM trajectories with surface hopping. The calculations uncover the motions responsible for photoproduct formation and elucidate the reasons behind the efficient photoisomerization in the primary event of visual transduction.
O. Weingart; P. Altoè; M. Stenta; A. Bottoni; G. Orlandi; M. Garavelli
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11585/108855
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