Investigation of rhodopsin chromophore photoisomerization based on the quantum-classical model

A. S. Shigaev ; T. B. Feldman ; V. A. Nadtochenko ; M. A. Ostrovsky ; V. D. Lakhno

Matematičeskaâ biologiâ i bioinformatika, Tome 13 (2018) no. 1, pp. 169-186.

Résumé

A quantum-classical model of cis-trans photoisomerization of the visual pigment rhodopsin chromophore was investigated in wide ranges of parameters. The quantum subsystem of the model includes three electronic states for rhodopsin: the ground state, the excited state, and the ground state of primary photoproduct. The local temperature of the mass points of the classical subsystem was used as a main reference quantity. The best agreement with experimental data was shown to be in the range of moderate temperatures in agreement with the Raman spectroscopy data. The essential role of a quick transfer of the photoexcitation excess energy into apoprotein part in photoproduct stabilization process was illustrated. Also, the fundamental nature and the local character of the photoreaction were shown in the numerical investigations.

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