Frontiers in Multiscale Modeling of Photoreceptor Proteins
Maria-Andrea Mroginski, Suliman Adam, Gil S. Amoyal, Avishai Barnoy, Ana-Nicoleta Bondar, Veniamin A. Borin,Jonathan R. Church, Tatiana Domratcheva, Bernd Ensing, Francesca Fanelli, Nicolas Ferré, Ofer Filiba,Laura Pedraza-González, Ronald González, Cristina E. González-Espinoza, Rajiv K. Kar, Lukas Kemmler, Seung Soo Kim, Jacob Kongsted, Anna I. Krylov, Yigal Lahav, Michalis Lazaratos, Qays NasserEddin, Isabelle Navizet, Alexander Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Párez de Alba Ort\'\iz, Elisa Pieri, Aditya G. Rao, Young Min Rhee, Niccol\`o Ricardi, Saumik Sen, Ilia A. Solov'yov, Luca De Vico, Tomasz A. Wesolowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Photochemistry and Photobiology
97
243-269
2021
abstract
This perspective article highlights the challenges in the theoretical description of photoreceptor proteinsusing multiscale modeling, as discussed at the CECAM workshop in Tel Aviv, Israel. The participants have identifiedgrand challenges and discussed the development of new tools to address them. Recent progress in understanding representative proteins such as green fluorescent protein, photoactive yellow protein, phytochrome, and rhodopsin is presented along with methodological developments.