Electron density deformations provide new insights into the spectral shift of rhodopsins

Spectral shifts of rhodopsin, which are related to variations of the electron distribution in 11‐cis‐retinal, are investigated here using the method of deformed atoms in molecules. We found that systems carrying the M207R and S186W mutations display large perturbations of the π‐conjugated system wit...

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Veröffentlicht in:Journal of computational chemistry 2013-10, Vol.34 (28), p.2460-2471
Hauptverfasser: Hernández-Rodríguez, Erix Wiliam, Montero-Alejo, Ana Lilian, López, Rafael, Sánchez-García, Elsa, Montero-Cabrera, Luis Alberto, García de la Vega, José Manuel
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