Article
Toward an understanding of the retinal chromophore in rhodopsin mimics.
The journal of physical chemistry. B - 5 Sept 2013
Huntress Mark M, Gozem Samer, Malley Konstantin R, Jailaubekov Askat E, Vasileiou Chrysoula, Vengris Mikas, Geiger James H, Borhan Babak, Schapiro Igor, Larsen Delmar S, Olivucci Massimo
Abstract excerpt
Recently, a rhodopsin protein mimic was constructed by combining mutants of the cellular retinoic acid binding protein II (CRABPII) with an all-trans retinal chromophore. Here, we present a combined computational quantum mechanics/molecular mechanics (QM/MM) and experimental ultrafast kinetic study of CRABPII. We employ the QM/MM models to study the absorption (λ(a)max), fluorescence (λ(f)max), and reactivity of...
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