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- W4254665744 abstract "<div>We present the results of high-level electronic structure and dynamics simulations</div><div>of the photoactive protein Dreiklang. With the goal to understand the details of</div><div>Dreiklang's photocycle, we carefully characterize the excited states of the ON- and</div><div>OFF-forms of Dreiklang. The key ?nding of our study is the existence of a lowlying</div><div>excited state of a charge-transfer (CT) character in the neutral ON form and</div><div>that population of this state, which is nearly isoenergetic with the locally excited</div><div>(LE) bright state, initiates series of steps ultimately leading to the formation of</div><div>the hydrated dark chromophore (OFF state). These results allow us to re?ne the</div><div>mechanistic picture of the Dreiklang's photocycle and photoactivation.</div>" @default.
- W4254665744 created "2022-05-12" @default.
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- W4254665744 date "2020-10-12" @default.
- W4254665744 modified "2023-09-24" @default.
- W4254665744 title "Interplay Between Locally Excited and Charge Transfer States Governs the Photoswitching Mechanism in Fluorescent Protein Dreiklang" @default.
- W4254665744 doi "https://doi.org/10.26434/chemrxiv.13077374" @default.
- W4254665744 hasPublicationYear "2020" @default.
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