Molecular Bioenergetics

Simulations of Electron, Proton, and Energy Transfer

Ralph A. Wheeler - Collection ACS Symposium Series

194 pages, parution le 31/12/2004

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Résumé

Approximately 0.05% of all sunlight reaching the earth's surface is used by photosynthetic organisms to synthesize organic compounds. All other organisms use these compounds as energy sources for their metabolism and thus the conversion of light energy into biologically usable forms is critical to the viability of living organisms. Typically, energy is converted by organisms into cellular energy sources in the form of high-energy compounds such as ATP, ion gradients, or confor-mational energy of proteins or their cofactors. Bioenergetics encompasses the thermodynamics, kinetics, and molecular mechanisms of the processes important for biological energy storage and its use. Among the most elementary chemical reactions central to these processes are electron transfer, proton transfer, and proton-coupled electron transfer.

This volume grew out of an American Chemical Society (ACS) symposium titled Bioenergetics. The ACS Division of Computers in Chemistry sponsored the symposium, whose goal was to bring together scientists from different disciplines to discuss current achievements and future directions in molecular-level simulations of electron and proton transfer. This volume provides a sampling of recently developed simulation methods, as well as their applications to prototypical biochemical systems such as the photosynthetic reaction center and bacteriorhodopsin.

Sommaire

Introduction to the Molecular Bioenergetics of Electron, Proton, and Energy Transfer
A Quantum Chemical View of the Initial Photochemical Event in Photosynthesis
Molecular Modeling and Simulation of a Reaction Center Protein
Simulating Thermochemistry of p-Benzo-quinone Reduction and Binding of Ubiquinone in the Photosynthetic Reaction Center
Problems Evaluating Energetics of Electron Transfer from QA to QB: The Light-Exposed and Dark-Adapted Bacterial Reaction Center
Modeling the First Electron Transfer from Q_A to Q_B in Reaction Center Proteins from Rb sphaeroides
Dynamics of Electron Transfer Pathways in Redox Proteins
Ab Initio Calculations of Long-Distance Electron Tunneling in Proteins with the Method of Tunneling Currents
Proton -Coupled Electron Transfer Reactions: A Theoretical Approach
Proton Relay in Membrane Proteins
Computer Simulation of Energy-Transducing Proteins and Peptide: Membrane Interactions

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	PAPIER
Éditeur(s)	American Chemical Society
Auteur(s)	Ralph A. Wheeler
Collection	ACS Symposium Series
Parution	31/12/2004
Nb. de pages	194
Format	16 x 23,5
Couverture	Relié
Poids	380g
Intérieur	Noir et Blanc
EAN13	9780841237209
ISBN13	978-0-8412-3720-9