Article
The protonation state of Glu181 in rhodopsin revisited: interpretation of experimental data on the basis of QM/MM calculations.
The journal of physical chemistry. B - 2 Sept 2010
Frähmcke Jan S, Wanko Marius, Phatak Prasad, Mroginski Maria Andrea, Elstner Marcus
Abstract excerpt
The structure and spectroscopy of rhodopsin have been intensely studied in the past decade both experimentally and theoretically; however, important issues still remain unresolved. Of central interest is the protonation state of Glu181, where controversial and contradictory experimental evidence has appeared. While FTIR measurements indicate this residue to be unprotonated, preresonance Raman and UV-vis spectra...
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