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Volume 17   Issue 2   Year 2022
Problems of Quantum-Classical Modeling Of the Primary Photoreaction in Rhodopsin

Shigaev A.S., Lihachev I.V., Lakhno V.D.

Institute of Mathematical Problems of Biology RAS, Keldysh Institute of Applied Mathematics RAS, Pushchino, Russia

Abstract. A modified model of the primary photoreaction in rhodopsin, cis-trans photoisomerization of the chromophore (retinal), is studied. The quantum subsystem of the model includes three vibronic states: the ground state, the excited state, and the ground state of the primary photoproduct. These states correspond to three point masses in the classical subsystem. The modification consists in the exponential dependence of the electronic-vibrational coupling constant on the displacement of point masses. The properties of the optimal loci of the multiparameter space, which characterized by the best agreement with the experimental data, are studied. A rather small “multidimensional volume” of these loci shown in all ranges of the used values of the model parameters. Several ways to optimize the quantum-classical model of rhodopsin photoisomerization have been proposed.

Key words: rhodopsin, retinal chromophore, cis-trans photoisomerization, potential energy surface, quantum classical model.

Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2022.17.360
published in Russian

Abstract (rus.)
Abstract (eng.)
Full text (rus., pdf)


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