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Volume 13   Issue 1   Year 2018
Investigation of Rhodopsin Chromophore Photoisomerization Based on the Quantum-Classical Model

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

Institute of Mathematical Problems of Biology RAS - the Branch of Keldysh Institute of Applied Mathematics of Russian Academy of Sciences, Pushchino, Russia
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia
N.N. Semenov Institute of Chemical Physics, Russian Academy of Sciences, Moscow, Russia

Abstract. 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.
Key wordsrhodopsin, retinal, chromophore, cis-trans photoisomerization, quantum-classical model.
Table of Contents Original Article
Math. Biol. Bioinf.
doi: 10.17537/2018.13.169
published in Russian

Abstract (rus.)
Abstract (eng.)
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