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 / O. Weingart; P. Altoè; M. Stenta; A. Bottoni; G. Orlandi; M. Garavelli. - In: PHYSICAL CHEMISTRY CHEMICAL PHYSICS. - ISSN 1463-9076. - STAMPA. - 13:(2011), pp. 3645-3648. [10.1039/c0cp02496a]
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.File in questo prodotto:
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