Research Catalog

Title

Molecular bioenergetics : simulations of electron, proton, and energy transfer / Ralph A. Wheeler, editor ; sponsored by the ACS Division of Computers in Chemistry.

Publication

Washington, DC : American Chemical Society : Distributed by Oxford University Press, [2004], ©2004.

Items in the Library & Off-site

Holdings

Details

Additional Authors

• Wheeler, Ralph A.
• American Chemical Society. Meeting (218th : 1999 : New Orleans, La.)

Description

ix, 196 pages, 2 unnumbered pages of plates : illustrations (some color); 24 cm.

Series Statement

ACS symposium series ; 883

Uniform Title

ACS symposium series ; 883.

Subject

• Bioenergetics > Congresses
• Electron transport > Congresses
• Proton transfer reactions > Congresses
• Photosynthesis > Congresses

Note

• Based on the symposium presented at the 218th American Chemical Society (ACS) national meeting in New Orleans, La., 1999.

Bibliography (note)

• Includes bibliographical references and indexes.

Contents

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 -- 6. Modeling the first electron transfer from Q[subscript A] to Q[subscript B] in reaction center proteins from Rb. sphaeroides / E. G. Alexov and M. R. Gunner -- 7. Dynamics of electron transfer pathways in redox proteins / Ilya A. Balabin and Jose Nelson Onuchic -- 8. 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. Stuchebrukhov -- 9. Proton-coupled electron transfer reactions : a theoretical approach / Robert I. Cukier -- 10. Proton relay in membrane proteins / Regis Pomes -- 11. Computer simulation of energy-transducing proteins and peptide : membrane interactions / Dan Mihailescu, G. Matthias Ullmann and Jeremy C. Smith.

ISBN

0841237204 (alk. paper)

LCCN

2004041121

OCLC

• ocm54365169
• SCSB-5125321

Owning Institutions

Columbia University Libraries