Product formation in rhodopsin by fast hydrogen motions.
نویسندگان
چکیده
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.
منابع مشابه
Photochemical reaction dynamics of the primary event of vision studied by means of a hybrid molecular simulation.
The photoisomerization reaction dynamics of a retinal chromophore in the visual receptor rhodopsin was investigated by means of hybrid quantum mechanical/molecular mechanical (QM/MM) molecular dynamics (MD) simulations. The photoisomerization reaction of retinal constitutes the primary step of vision and is known as one of the fastest reactions in nature. To elucidate the molecular mechanism of...
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ورودعنوان ژورنال:
- Physical chemistry chemical physics : PCCP
دوره 13 9 شماره
صفحات -
تاریخ انتشار 2011