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- W2477180138 abstract "The energetics of the electron transfer (ET) process from QA.- investigated by solving the linear Poisson-Boltzmann equation to calculate the electrostatic energies. The equilibrium distribution of redox states and protonation pattern of all titratable groups in the protein complex was obtained with a Monte Carlo sampling technique. Considering the dark-adapted structure of the bRC from Rhodobacter sphaeroides, we found that the ET reaction is uphill in energy by 157 meV, whereas for the light-exposed structure from Rhodobacter sphaeroides and for the new structure from Rhodopseudomonas viridis, we found that the ET process is downhill in energy by -56 meV and -169 meV, respectively. Implications of a comparison of our results with experiments are discussed. Reasons are given, why previous attempts to compute these energies using a single crystal structure failed." @default.
- W2477180138 created "2016-08-23" @default.
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- W2477180138 date "2004-06-23" @default.
- W2477180138 modified "2023-10-17" @default.
- W2477180138 title "Problems Evaluating Energetics of Electron Transfer from Q<sub>A</sub> to Q<sub>B</sub>: The Light-Exposed and Dark-Adapted Bacterial Reaction Center" @default.
- W2477180138 doi "https://doi.org/10.1021/bk-2004-0883.ch005" @default.
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