بیوانرژتیک مولکولی: شبیه‌سازی‌های انتقال الکترون، پروتون و انرژی؛ [بر اساس سمپوزیومی که در 218مین نشست ملی انجمن شیمی آمریکا (ACS) در نیواورلئان، لوئیزیانا، 1999 ارائه شد]

Content: 1. Introduction to the molecular bioenergetics of electron, proton, and energy transfer / Ralph A. Wheeler -- 2. A quantum chemical view of the initial photochemical event in photosynthesis / Michael C. Zerner and Ralph A. Wheeler -- 3. Molecular modeling and simulation of a reaction center protein / Matteo Ceccarelli, Marc Souaille and Massimo Marchi -- 4. Simulating thermochemistry of p-benzo-quinone reduction and binding of ubiquinone in the photosynthetic reaction center / Ralph A. Wheeler -- 5. Problems evaluating energetics of electron transfer from Q[subscript A] to Q[subscript B] : the light-exposed and dark-adapted bacterial reaction center / Bjorn Rabenstein and Ernst-Walter Knapp 1. Introduction To The Molecular Bioenergetics Of Electron, Proton, And Energy Transfer / Ralph A. Wheeler -- 2. A Quantum Chemical View Of The Initial Photochemical Event In Photosynthesis / Michael C. Zerner And Ralph A. Wheeler -- 3. Molecular Modeling And Simulation Of A Reaction Center Protein / Matteo Ceccarelli, Marc Souaille And Massimo Marchi -- 4. Simulating Thermochemistry Of P-benzo-quinone Reduction And Binding Of Ubiquinone In The Photosynthetic Reaction Center / Ralph A. Wheeler -- 5. Problems Evaluating Energetics Of Electron Transfer From Q[subscript A] To Q[subscript B] : The Light-exposed And Dark-adapted Bacterial Reaction Center / Bjorn Rabenstein And Ernst-walter Knapp. Ralph A. Wheeler, Editor ; Sponsored By The Acs Divisions Of Computers In Chemistry. Based On The Symposium Presented At The 218th American Chemical Society (acs) National Meeting In New Orleans, La., 1999. Includes Bibliographical References And Index. Annotation All living things rely on the efficient storage, transduction, and use of energy. For example, all free energy used by biological systems originates from solar energy stored by photosynthesis and its effective use relies on its transformation from one form 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 andsummarize applications to proteins, including the photosynthetic reaction center, bacteriorhodopsin, and cytochrome c Bioenergetics: Simulations of Electron, Proton, and Energy Transfer presents new methods for simulating bioenergetic processes and discusses applications to proteins.