Multiscale Simulation of Photoresponsive Biological Systems
Nature utilizes light to control biological systems using photoresponsive molecules. For example, such molecules can be found as chromophores in proteins or nucleic acids. The spatiotemporal precision of the interaction between light and these molecules provides many intriguing possibilities for application in biotechnology. However, this requires a molecular level understanding of the reaction triggered by light in these photoresponsive biomolecules. Despite intense research in the field of photobiology there are still open questions and challenges that can be addressed by multiscale simulations.
The scope of the proposed workshop to bring together the leading scientists in the field of multiscale modelling of natural and man-made light-responsive molecules. These experts will identify the major challenges in modelling these systems as well as discuss the development of new tools to overcome them. In this context we will invite speakers working on several families of light absorbing biological systems. In particular three different research area will be addressed: 1) Simulation of static spectra describing how absorption is regulated by the environment, 2) characterization of light-induced dynamics such as excited state proton transfer, photoisomerization, and 3) long scale molecular dynamics that describe conformational changes of biomolecules as a long term consequence of the light energy absorption. The overall scope of this workshop is to bring together experts in method development and application of computational photobiology.
Igor Schapiro (The Hebrew University of Jerusalem) - Organiser
Cecilia Clementi (Freie Universität Berlin) - Organiser