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Project PartnersProf. Dr. Peter Saalfrank
Institute of Chemistry / Theoretical Chemistry Core Competency:Functional analysis of plant genes regulating plant growth and biomass accumulation, analysis of natural and transgenic variation (Arabidopsis) with respect to leaf growth and development, transcriptional profiling using comprehensive quantitative RT-PCR; gene identification. Contribution to Work Programme:WP1.4: We will use ab initio quantum chemistry calculations to determine the structure and reactivity of small molecules, which serve as signals in metabolism and regulation. The electronic and geometrical properties of educt, product, and possible intermediate states are accurately determined for isolated molecules and molecules embedded in an environment, which is described by continuum models or within a QM/MM approach. Further, we will determine transition states and reaction paths. A more detailed understanding of relevant reactions can then be obtained by kinetic models, using transition state theory, or by MD simulations. The major contribution of this partner will be to WP1. GoFORSYS Publications of the Group:Zenichowski, K., M. Gothe, et al. (2007). "Exciting flavins: Absorption spectra and spin-orbit coupling in light-oxygen-voltage (LOV) domains." Journal of Photochemistry and Photobiology a-Chemistry 190(2-3): 290-300. Gotze, J. and P. Saalfrank (2009). "Serine in BLUF domains displays spectral importance in computational models." Journal of Photochemistry and Photobiology a-Chemistry 94(2): 87-95. |
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