Frontiers in Multiscale Modelling of Photoreceptor Proteins,Photochemistry and Photobiology

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Frontiers in Multiscale Modelling of Photoreceptor Proteins
Photochemistry and Photobiology ( IF 2.6 ) Pub Date : 2020-12-28 , DOI: 10.1111/php.13372
Maria-Andrea Mroginski ₁ , Suliman Adam ₂ , Gil S Amoyal ₂ , Avishai Barnoy ₂ , Ana-Nicoleta Bondar ₃ , Veniamin A Borin ₂ , Jonathan R Church ₂ , Tatiana Domratcheva _{4,

5} , Bernd Ensing ₆ , Francesca Fanelli ₇ , Nicolas Ferré ₈ , Ofer Filiba ₂ , Laura Pedraza-González ₉ , Ronald González ₁ , Cristina E González-Espinoza ₁₀ , Rajiv K Kar ₂ , Lukas Kemmler ₃ , Seung Soo Kim ₁₁ , Jacob Kongsted ₁₂ , Anna I Krylov ₁₃ , Yigal Lahav _{2,

14} , Michalis Lazaratos ₃ , Qays NasserEddin ₂ , Isabelle Navizet ₁₅ , Alexander Nemukhin _{4,

16} , Massimo Olivucci _{9,

17} , Jógvan Magnus Haugaard Olsen _{18,

19} , Alberto Pérez de Alba Ortíz ₆ , Elisa Pieri ₈ , Aditya G Rao ₂ , Young Min Rhee ₁₁ , Niccolò Ricardi ₁₀ , Saumik Sen ₂ , Ilia A Solov'yov ₂₀ , Luca De Vico ₉ , Tomasz A Wesolowski ₁₀ , Christian Wiebeler ₂ , Xuchun Yang ₁₇ , Igor Schapiro ₂

Affiliation

Institut für Chemie, Technische Universität Berlin, Berlin, Germany.
Institute of Chemistry, The Hebrew University of Jerusalem, Jerusalem, Israel.
Freie Universität Berlin, Department of Physics, Theoretical Molecular Biophysics Group, Berlin, Germany.
Department of Chemistry, Lomonosov Moscow State University, Moscow, Russia.
Department Biomolecular Mechanisms, Max Planck Institute for Medical Research, Heidelberg, Germany.
Van 't Hoff Institute for Molecular Science and Amsterdam Center for Multiscale Modeling, University of Amsterdam, Amsterdam, The Netherlands.
Department of Life Sciences, Center for Neuroscience and Neurotechnology, Università degli Studi di Modena e Reggio Emilia, Modena, Italy.
Aix-Marseille Univ, CNRS, ICR, Marseille, France.
Department of Biotechnology, Chemistry and Pharmacy, Università degli Studi di Siena, Siena, Italy.
Département de Chimie Physique, Université de Genève, Genève, Switzerland.
Department of Chemistry, Korea Advanced Institute of Science and Technology, Daejeon, Korea.
Department of Physics, Chemistry and Pharmacy, University of Southern Denmark, Odense, Denmark.
Department of Chemistry, University of Southern California, Los Angeles, CA, USA.
MIGAL - Galilee Research Institute, S. Industrial Zone, Kiryat Shmona, Israel.
MSME, Univ Gustave Eiffel, CNRS UMR 8208, Univ Paris Est Creteil, Marne-la-Vallée, France.
Emanuel Institute of Biochemical Physics, Russian Academy of Sciences, Moscow, Russia.
Chemistry Department, Bowling Green State University, Bowling Green, OH, USA.
Department of Chemistry, Aarhus University, Aarhus, Denmark.
Department of Chemistry, Hylleraas Centre for Quantum Molecular Sciences, UiT The Arctic University of Norway, Tromsø, Norway.
Department of Physics, Carl von Ossietzky University Oldenburg, Oldenburg, Germany.

This perspective article highlights the challenges in the theoretical description of photoreceptor proteins using multiscale modelling, 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 are presented, along with methodological developments.

中文翻译：

感光蛋白多尺度建模的前沿

正如在以色列特拉维夫的 CECAM 研讨会上所讨论的，这篇前瞻性文章强调了使用多尺度建模对光感受器蛋白进行理论描述所面临的挑战。与会者确定了重大挑战，并讨论了开发新工具来应对这些挑战。介绍了在理解绿色荧光蛋白、光敏黄色蛋白、光敏色素和视紫红质等代表性蛋白质方面的最新进展，以及方法学的发展。

更新日期：2020-12-28

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