Frontiers in Multiscale Modeling of Photoreceptor Proteins
María 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 V. Nemukhin, Massimo Olivucci, Jógvan Magnus Haugaard Olsen, Alberto Pérez de Alba Ortíz, Elisa Pieri, Aditya G. Rao, Young Min Rhee, Niccolò Ricardi, Saumik Sen, Ilia A. Solov’yov, Luca De Vico, Tomasz A. Wesołowski, Christian Wiebeler, Xuchun Yang, Igor Schapiro
Abstract
This perspective article highlights the challenges in the theoretical description of photoreceptor proteins using multiscale modeling, as discussed at the CECAM workshop in Tel Aviv, Israel. The participants have identified grand 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.