TCB Publications - Abstract

TCB Publications - Abstract

Herbert Treutlein, Christoph Niedermeier, Klaus Schulten, J. Deisenhofer, H. Michel, Axel Brünger, and Martin Karplus. Molecular dynamics simulation of the primary processes in the Photosynthetic reaction center of Rhodopseudomonas viridis. In A. Pullman et al., editors, Transport Through Membranes: Carriers, Channels and Pumps, pp. 513-525. Kluwer Academic Publishers, Dordrecht, 1988.

TREU88D We have carried out a computer simulation of the photosynthetic reaction center of Rhodopseudomonas viridis based on the available molecular structure1,2. Our simulation employed the CHARMM program3 in conjunction with the so called stochastic boundary method4,5. Electron transfer has been modeled by re-charging the respective chromophores assuming charge distributions based on quantumchemical (MNDO) calculations. Our results suggest that the high efficiency of the initial charge separation is achieved (i) by a highly optimized geometry of chromophores for forward electron transfer and (ii) by hindering the electron back transfer via motions of protein constituents.

Download Full Text

The manuscripts available on our site are provided for your personal use only and may not be retransmitted or redistributed without written permissions from the paper's publisher and author. You may not upload any of this site's material to any public server, on-line service, network, or bulletin board without prior written permission from the publisher and author. You may not make copies for any commercial purpose. Reproduction or storage of materials retrieved from this web site is subject to the U.S. Copyright Act of 1976, Title 17 U.S.C.

Download full text: PDF (493.1KB)