Quantum-classical modeling of rhodopsin photoisomerization
نویسندگان
چکیده
منابع مشابه
Quantum-classical modeling of photoisomerization of polyatomic molecules.
A new method, non-Markovian quantum-classical approximation (NQCA), is suggested to model the photoisomerization of polyatomic molecules. The NQCA method can be successfully applied to follow the photoisomerization process for a wide class of reacting systems, namely, those for which the time scale required for the equilibration in the phase space of the potential energy surface (PESs) is short...
متن کاملFloquet Study of Quantum Control of the Cis − Trans 2 Photoisomerization of Rhodopsin
6 ABSTRACT: Understanding how to control reaction dynamics of 7 polyatomic systems by using ultrafast laser technology is a fundamental 8 challenge of great technological interest. Here, we report a Floquet theoretical 9 study of the effect of light-induced potentials on the ultrafast cis−trans 10 photoisomerization dynamics of rhodopsin. The Floquet Hamiltonian 11 involves an empirical 3-state...
متن کاملFloquet Study of Quantum Control of the Cis-Trans Photoisomerization of Rhodopsin.
Understanding how to control reaction dynamics of polyatomic systems by using ultrafast laser technology is a fundamental challenge of great technological interest. Here, we report a Floquet theoretical study of the effect of light-induced potentials on the ultrafast cis-trans photoisomerization dynamics of rhodopsin. The Floquet Hamiltonian involves an empirical 3-state 25-mode model with freq...
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چکیده ندارد.
15 صفحه اولQuantum chemical modeling of rhodopsin mutants displaying switchable colors.
We look at the possibility to compute and understand the color change occurring upon mutation of a photochromic protein. Accordingly, ab initio multiconfigurational quantum chemical methods are used to construct basic quantum-mechanics/molecular-mechanics (QM/MM) models for a small mutant library of the sensory rhodopsin of Anabaena (Nostoc) sp. PCC7120 cyanobacterium. Together with the wild-ty...
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ژورنال
عنوان ژورنال: Keldysh Institute Preprints
سال: 2018
ISSN: 2071-2898,2071-2901
DOI: 10.20948/prepr-2018-27-e