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
Understanding Isomerization in Retinal Proteins: Insight from QM/MM Simulations.
The primary event of vision in the vertebrate eye is the highly selective and efficient photoisomerization of 11-cis-retinal protonated Schiff base (RPSB) bound to the visual protein rhodopsin (Rh). With a ~100% selectivity, ~65% quantum yield, and ~200 fs product appearance time, this isomerization is considered the archetype of a photochemical reaction optimized by nature to achieve a specific molecular response.
Recently, we have used a combination of a quantum chemical and a classical force field method (QM/MM) to resolve the isomerization mechanism for the RPSB chromophore in Rh. Important stereoelectronic factors were found that determine the outcome of the photo-isomerization. The same protocol was also applied to investigate the photochemical mechanism of the newly discovered Anabaena Sensory Rhodopsin and of a biomimetic molecular switch that works in solution.
Using the same computational protocol we have also studied the ground state (thermal) isomerization. The results of the simulations explain the molecular mechanism of thermal noise in rod photoreceptors and make a direct link to experimentally found correlations.
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 Schapiro I, Ruhman S. Biochim Biophys Acta. (2014), 1837, 589.
 Léonard J, Schapiro I, Briand J, Fusi S, Paccani R R, Olivucci M, Haacke S. Chem. Eur. J. (2012), 18, 15296.
 Gozem S, Schapiro I, Ferré N, Olivucci M. Science (2012), 33, 6099.
Zeit & Ort
10.06.2014 | 11:00 - 11:45
FB Raum 1.1.16, Arnimallee 14, 14195 Berlin