to the other. In this volume, leaders in the fields of
computational modeling of
electron transfer, proton transfer, proton-couples
electron transfer, and energy transduction present new methods for simulating bioenergetic processes and summarize applications to proteins, including the photosynthetic reaction center, bacteriorhodopsin, and cytochrome c.brPrefacebr1. Introduction to the Molecular Bioenergetics of
Electron, Proton, and Energy Transfer, Ralph A. Wheelerbr2. A Quantum Chemical View of the Initial Photochemical Event in Photosynthesis, Michael C. Zerner and Ralph A. Wheelerbr3. Molecular Modeling and Simulation of a Reaction Center Protein, Matteo Ceccarelli, Marc Souaille, and Massimo Marchibr4. Simulating Thermochemistry of p-Benzo-quinone Reduction and Binding of Ubiquinone in the Photosynthetic Reaction Center, Ralph A. Wheelerbr5. Problems Evaluating Energetics of
Electron Transfer from QA to QB: The Light-Exposed and Dark-Adapted Bacterial Reaction Center, Bjorn Rabenstein and Ernst-Walter Knappbr6. Modeling the First
Electron Transfer from QA to QB in Reaction Center Proteins from Rb. sphaeroides, E.G. Alexov and M.R. Gunnerbr7. Dynamics of
Electron Transfer Pathways in Redox Proteins, Ilya A. Balabin and Jose Nelson Onuchicbr8. Ab Initio Calculations of Long-Distance
Electron Tunneling in Proteins with the Method of Tunneling Currents, Jongseob Kim, Xuehe Zheng, Yuri Georgievskii, and Alexei A. Stuchebrukhovbr9. Proton-Coupled
Electron Transfer Reactions: A Theoretical Approach, Robert I. Cukierbr10. Proton Relay in Membrane Proteins, Regis Pomesbr11.
Computer Simulation of Energy-Transducing Proteins and Peptide: Membrane Interactions, Dan Mihailescu, G. Matthias Ullman@UŽzáG®ÿ¾Û€
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