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Preprints of the Keldysh Institute of Applied Mathematics, 2018, 027, 28 pp.
DOI: https://doi.org/10.20948/prepr-2018-27-e
(Mi ipmp2389)
 

This article is cited in 2 scientific papers (total in 2 papers)

Quantum-classical modeling of rhodopsin photoisomerization

A. S. Shigaev, T. B. Feldman, V. A. Nadtochenko, M. A. Ostrovsky, V. D. Lakhno
Full-text PDF (973 kB) Citations (2)
References:
Abstract: Characterization of the primary events involved in the cis-trans photoisomerization of the rhodopsin retinal chromophore was approximated by a minimum one-dimensional quantum-classical model. The developed mathematical model is identical to that obtained using conventional quantum classical approaches, and multiparametric quantum-chemical or molecular dynamics (MD) computations were not required. The quantum subsystem of the model includes three electronic states for rhodopsin: (i) the ground state, (ii) the excited state, and (iii) the primary photoproduct in the ground state. The resultant model is in perfect agreement with experimental data in terms of the quantum yield, the time required to reach the conical intersection and to complete the quantum evolution, the range of the characteristic low frequencies active within the primary events of the 11-cis retinal isomerization, and the coherent character of the photoreaction. An effective redistribution of excess energy between the vibration modes of rhodopsin was revealed by analysis of the dissipation process. The results confirm the validity of the minimal model, despite its one-dimensional character. The fundamental nature of the photoreaction was therefore demonstrated using a minimum mathematical model for the first time.
Keywords: rhodopsin, retinal chromophore, cis-trans photoisomerization, quantum-classical model.
Funding agency Grant number
Russian Foundation for Basic Research 16-07-00305_à
17-00-00166_Êîìôè
Russian Academy of Sciences - Federal Agency for Scientific Organizations
This work was supported by the Russian Foundation for Basic Research [No. 16-07-00305-a, 17-00-00166-KOMFI] and Program of Fundamental Research Support of Presidium of the Russian Academy of Sciences “Nanostructures: physics, chemistry, biology, basis of technologies”. The authors are thankful to the Joint Supercomputer Center of the Russian Academy of Sciences, Moscow, Russia for the provided computational resources.
Document Type: Preprint
Language: English
Citation: A. S. Shigaev, T. B. Feldman, V. A. Nadtochenko, M. A. Ostrovsky, V. D. Lakhno, “Quantum-classical modeling of rhodopsin photoisomerization”, Keldysh Institute preprints, 2018, 027, 28 pp.
Citation in format AMSBIB
\Bibitem{ShiFelNad18}
\by A.~S.~Shigaev, T.~B.~Feldman, V.~A.~Nadtochenko, M.~A.~Ostrovsky, V.~D.~Lakhno
\paper Quantum-classical modeling of rhodopsin photoisomerization
\jour Keldysh Institute preprints
\yr 2018
\papernumber 027
\totalpages 28
\mathnet{http://mi.mathnet.ru/ipmp2389}
\crossref{https://doi.org/10.20948/prepr-2018-27-e}
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  • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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