Frontiers in Multiscale Modeling of Photoreceptor Proteins
María Andrea Mroginskia✉, Suliman Adamb c, Gil S. Amoyalb c, Avishai Barnoyb c, Ana‐Nicoleta Bondard, Veniamin A. Borinb c, Jonathan Richard Churchb c, Tatiana M. Domratchevae f g h, Bernd Ensingi j, Francesca Fanellik, Nicolas Ferrél m, Ofer Filibab c, Laura Pedraza‐Gonzálezn, Ronald Gonzáleza, Cristina E. González‐Espinozao, Rajiv K. Karb c, Lukas Kemmlerd, Seung Soo Kimp q, Jacob Kongstedr s, Anna I. Krylovt u, Yigal Lahavb c v, Michalis Lazaratosd, Qays NasserEddinb c, Isabelle Navizetw, Alexander V. Nemukhinf h x y, Massimo Olivuccin z, Jógvan Magnus Haugaard Olsenaa ab ac, Alberto Pérez de Alba Ortízi j, Elisa Pieril m, Aditya G. Raob c and 9 others
- aInstitut für Chemie Technische Universität Berlin Berlin Germany
- bInstitute of Chemistry The Hebrew University of Jerusalem Jerusalem Israel
- cInstitute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel
- dFreie Universität Berlin Department of Physics, Theoretical Molecular Biophysics Group Berlin Germany
- eDepartment Biomolecular Mechanisms Max Planck Institute for Medical Research Heidelberg Germany
- fDepartment of Chemistry Lomonosov Moscow State University Moscow Russia
- gDepartment Biomolecular Mechanisms, Max Planck Institute for Medical Research, Heidelberg, Germany
- hDepartment of Chemistry, Lomonosov Moscow State University, Moscow, Russia
- iVan 't Hoff Institute for Molecular Science and Amsterdam Center for Multiscale Modeling University of Amsterdam Amsterdam The Netherlands
- jVan 't Hoff Institute for Molecular Science and Amsterdam Center for Multiscale Modeling, University of Amsterdam, Amsterdam, The Netherlands
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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.