Zur Umsetzung der Ziele im Rahmen der Exzellenzinitiative mit ihrem Zukunftskonzept "International Network University" dient die Einrichtung einer Universitätsprofessur "Theoretische Molekulare Biophysik"  

Abstract zum Vortrag 

Theoretical and computational studies of photosensory proteins

Tatiana Domratcheva

Computational Photobiology, Department of Biomolecular Mechanisms, Max Planck Institute for Medical Research, Heidelberg

Several families of flavoproteins carry out sensory functions across all kingdoms of life. In all these flavoproteins, light-sensing originates from electron tunneling with their flavin chromophore acting as either electron donor or acceptor. A diversity of sensory reactions is achieved by combining flavins with various redox amino acids, varying the donor-acceptor distance and by coupling electron and proton transfer. The actual reaction mechanisms have been extensively investigated using experimental and computational methods, but many aspects are still vividly debated. In order to provide a comprehensive theory we developed a computational approach exploiting accurate excited-state quantum-mechanical methods. We also account for effects of protein and solvent electrostatic charges. Using our calculations, we analyze and compare electron tunneling in photosensory flavoproteins. We predict spectroscopic signatures and life times of intermediates facilitating interpretations of experimental observations. We also find that quantum-mechanical effects are essential in biosensors.