Photochemistry and Photobiology, volume 97, issue 2, pages 243-269

Frontiers in Multiscale Modeling of Photoreceptor Proteins

Mroginski Maria-Andrea ¹

Adam Suliman ²

Amoyal Gil S ²

Barnoy Avishai ²

Bondar Ana-Nicoleta ³

Borin Veniamin A. ²

Church Jonathan R ²

Domratcheva Tatiana ^{4, 5}

Ensing Bernd ⁶

Fanelli F. ⁷

Ferré Nicolas ⁸

Filiba Ofer ²

Pedraza González Laura ⁹

González Ronald ¹

González Espinoza Cristina E ¹⁰

Kumar Kar Rajiv ²

Kemmler Lukas ³

Kim Seung Soo ¹¹

Kongsted Jacob ¹²

Krylov Anna I. ¹³

Lahav Yigal ^{2, 14}

Lazaratos Michalis ³

Nassereddin Qays ²

Navizet Isabelle ¹⁵

Nemukhin Alexander ^{4, 16}

Olivucci Massimo ^{9, 17}

Olsen Jógvan Magnus Haugaard ^{18, 19}

Pérez De Alba Ortíz A ⁶

Pieri Elisa ⁸

Rao Aditya G ²

Rhee Young Min ¹¹

Ricardi Niccolò ¹⁰

Sen Saumik ²

Solov'yov Ilia A. ²⁰

De Vico Luca ⁹

WESOŁOWSKI TOMASZ ¹⁰

Wiebeler Christian ²

Yang Xuchun ¹⁷

Schapiro Igor ²

Hide authors affiliations Show authors affiliations: 20 affiliations

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 |

⁴

Department of Chemistry Lomonosov Moscow State University Moscow Russia |

⁵

Department Biomolecular Mechanisms Max Planck Institute for Medical Research Heidelberg Germany |

⁶

Van 't Hoff Institute for Molecular Science and Amsterdam Center for Multiscale Modeling University of Amsterdam Amsterdam The Netherlands |

⁷

Department of Life Sciences Center for Neuroscience and Neurotechnology Università degli Studi di Modena e Reggio Emilia Modena Italy |

⁸

Aix‐Marseille Univ, CNRS, ICR Marseille France |

⁹

Department of Biotechnology, Chemistry and Pharmacy Università degli Studi di Siena Siena Italy |

¹⁰

Département de Chimie Physique Université de Genève Genève Switzerland |

¹¹

Department of Chemistry Korea Advanced Institute of Science and Technology Daejeon Korea |

¹²

Department of Physics, Chemistry and Pharmacy University of Southern Denmark Odense Denmark |

¹³

Department of Chemistry University of Southern California Los Angeles CA USA |

¹⁴

MIGAL – Galilee Research Institute S. Industrial Zone Kiryat Shmona Israel |

¹⁵

MSME, Univ Gustave Eiffel, CNRS UMR 8208, Univ Paris Est Creteil Marne‐la‐Vallée France |

¹⁶

Emanuel Institute of Biochemical Physics Russian Academy of Sciences Moscow Russia |

¹⁷

Chemistry Department Bowling Green State University Bowling Green OH USA |

¹⁸

Department of Chemistry Aarhus University Aarhus Denmark |

¹⁹

Department of Chemistry Hylleraas Centre for Quantum Molecular Sciences UiT The Arctic University of Norway Tromsø Norway |

²⁰

Department of Physics Carl von Ossietzky University Oldenburg Oldenburg Germany |

Publication type: Journal Article

Publication date: 2021-02-13

Wiley

Journal: Photochemistry and Photobiology

Quartile SCImago

Quartile WOS

Impact factor: 3.3

ISSN: 00318655, 17511097

DOI: 10.1111/php.13372

Copy DOI

Biochemistry

Physical and Theoretical Chemistry

General Medicine

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.

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Citations by journals

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Wiley Interdisciplinary Reviews: Computational Molecular Science	Wiley Interdisciplinary Reviews: Computational Molecular Science, 2, 7.69% Wiley Interdisciplinary Reviews: Computational Molecular Science 2 publications, 7.69%
Journal of Chemical Theory and Computation	Journal of Chemical Theory and Computation, 2, 7.69% Journal of Chemical Theory and Computation 2 publications, 7.69%
Current Opinion in Structural Biology	Current Opinion in Structural Biology, 1, 3.85% Current Opinion in Structural Biology 1 publication, 3.85%
Journal of the American Chemical Society	Journal of the American Chemical Society, 1, 3.85% Journal of the American Chemical Society 1 publication, 3.85%
Frontiers in Chemistry	Frontiers in Chemistry, 1, 3.85% Frontiers in Chemistry 1 publication, 3.85%
Topics in Current Chemistry	Topics in Current Chemistry, 1, 3.85% Topics in Current Chemistry 1 publication, 3.85%
Nature Communications	Nature Communications, 1, 3.85% Nature Communications 1 publication, 3.85%
Chinese Chemical Letters	Chinese Chemical Letters, 1, 3.85% Chinese Chemical Letters 1 publication, 3.85%
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Journal of Computational Chemistry	Journal of Computational Chemistry, 1, 3.85% Journal of Computational Chemistry 1 publication, 3.85%
Journal of Bacteriology	Journal of Bacteriology, 1, 3.85% Journal of Bacteriology 1 publication, 3.85%
Journal of Physical Chemistry A	Journal of Physical Chemistry A, 1, 3.85% Journal of Physical Chemistry A 1 publication, 3.85%
Journal of Molecular Biology	Journal of Molecular Biology, 1, 3.85% Journal of Molecular Biology 1 publication, 3.85%
ACS Catalysis	ACS Catalysis, 1, 3.85% ACS Catalysis 1 publication, 3.85%
Journal of Chemical Information and Modeling	Journal of Chemical Information and Modeling, 1, 3.85% Journal of Chemical Information and Modeling 1 publication, 3.85%
Organic and Biomolecular Chemistry	Organic and Biomolecular Chemistry, 1, 3.85% Organic and Biomolecular Chemistry 1 publication, 3.85%
	1 2

Citations by publishers

	1 2 3 4 5 6 7 8
American Chemical Society (ACS)	American Chemical Society (ACS), 8, 30.77% American Chemical Society (ACS) 8 publications, 30.77%
Springer Nature	Springer Nature, 4, 15.38% Springer Nature 4 publications, 15.38%
Elsevier	Elsevier, 3, 11.54% Elsevier 3 publications, 11.54%
Wiley	Wiley, 3, 11.54% Wiley 3 publications, 11.54%
Frontiers Media S.A.	Frontiers Media S.A., 1, 3.85% Frontiers Media S.A. 1 publication, 3.85%
American Society for Biochemistry and Molecular Biology	American Society for Biochemistry and Molecular Biology, 1, 3.85% American Society for Biochemistry and Molecular Biology 1 publication, 3.85%
American Society for Microbiology	American Society for Microbiology, 1, 3.85% American Society for Microbiology 1 publication, 3.85%
Royal Society of Chemistry (RSC)	Royal Society of Chemistry (RSC), 1, 3.85% Royal Society of Chemistry (RSC) 1 publication, 3.85%
	1 2 3 4 5 6 7 8

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GOST |

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GOST Copy

Mroginski M. et al. Frontiers in Multiscale Modeling of Photoreceptor Proteins // Photochemistry and Photobiology. 2021. Vol. 97. No. 2. pp. 243-269.

GOST all authors (up to 50) Copy

Mroginski M., Adam S., Amoyal G. S., Barnoy A., Bondar A., Borin V. A., Church J. R., Domratcheva T., Ensing B., Fanelli F., Ferré N., Filiba O., Pedraza González L., González R., González Espinoza C. E., Kumar Kar R., Kemmler L., Kim S. S., Kongsted J., Krylov A. I., Lahav Y., Lazaratos M., Nassereddin Q., Navizet I., Nemukhin A., Olivucci M., Olsen J. M. H., Pérez De Alba Ortíz A., Pieri E., Rao A. G., Rhee Y. M., Ricardi N., Sen S., Solov'yov I. A., De Vico L., WESOŁOWSKI T., Wiebeler C., Yang X., Schapiro I. Frontiers in Multiscale Modeling of Photoreceptor Proteins // Photochemistry and Photobiology. 2021. Vol. 97. No. 2. pp. 243-269.

RIS |

Cite this

RIS Copy

TY - JOUR

DO - 10.1111/php.13372

UR - https://doi.org/10.1111%2Fphp.13372

TI - Frontiers in Multiscale Modeling of Photoreceptor Proteins

T2 - Photochemistry and Photobiology

AU - Ricardi, Niccolò

AU - Mroginski, Maria-Andrea

AU - Adam, Suliman

AU - Amoyal, Gil S

AU - Barnoy, Avishai

AU - Borin, Veniamin A.

AU - Church, Jonathan R

AU - Domratcheva, Tatiana

AU - Ensing, Bernd

AU - Ferré, Nicolas

AU - Filiba, Ofer

AU - Pedraza González, Laura

AU - González, Ronald

AU - Kumar Kar, Rajiv

AU - Kim, Seung Soo

AU - Kongsted, Jacob

AU - Krylov, Anna I.

AU - Lahav, Yigal

AU - Lazaratos, Michalis

AU - Nassereddin, Qays

AU - Navizet, Isabelle

AU - Nemukhin, Alexander

AU - Olivucci, Massimo

AU - Olsen, Jógvan Magnus Haugaard

AU - Pérez De Alba Ortíz, A

AU - Pieri, Elisa

AU - Rao, Aditya G

AU - Rhee, Young Min

AU - Sen, Saumik

AU - Solov'yov, Ilia A.

AU - De Vico, Luca

AU - WESOŁOWSKI, TOMASZ

AU - Wiebeler, Christian

AU - Schapiro, Igor

AU - Bondar, Ana-Nicoleta

AU - Fanelli, F.

AU - González Espinoza, Cristina E

AU - Kemmler, Lukas

AU - Yang, Xuchun

PY - 2021

DA - 2021/02/13 00:00:00

PB - Wiley

SP - 243-269

IS - 2

VL - 97

SN - 0031-8655

SN - 1751-1097

ER -

BibTex |

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BibTex Copy

@article{2021_Mroginski,

author = {Niccolò Ricardi and Maria-Andrea Mroginski and Suliman Adam and Gil S Amoyal and Avishai Barnoy and Veniamin A. Borin and Jonathan R Church and Tatiana Domratcheva and Bernd Ensing and Nicolas Ferré and Ofer Filiba and Laura Pedraza González and Ronald González and Rajiv Kumar Kar and Seung Soo Kim and Jacob Kongsted and Anna I. Krylov and Yigal Lahav and Michalis Lazaratos and Qays Nassereddin and Isabelle Navizet and Alexander Nemukhin and Massimo Olivucci and Jógvan Magnus Haugaard Olsen and A Pérez De Alba Ortíz and Elisa Pieri and Aditya G Rao and Young Min Rhee and Saumik Sen and Ilia A. Solov'yov and Luca De Vico and TOMASZ WESOŁOWSKI and Christian Wiebeler and Igor Schapiro and Ana-Nicoleta Bondar and F. Fanelli and Cristina E González Espinoza and Lukas Kemmler and Xuchun Yang},

title = {Frontiers in Multiscale Modeling of Photoreceptor Proteins},

journal = {Photochemistry and Photobiology},

year = {2021},

volume = {97},

publisher = {Wiley},

month = {feb},

url = {https://doi.org/10.1111%2Fphp.13372},

number = {2},

pages = {243--269},

doi = {10.1111/php.13372}

}

MLA

Cite this

MLA Copy

Mroginski, Maria-Andrea, et al. “Frontiers in Multiscale Modeling of Photoreceptor Proteins.” Photochemistry and Photobiology, vol. 97, no. 2, Feb. 2021, pp. 243-269. https://doi.org/10.1111%2Fphp.13372.

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Publisher

Wiley

Journal

Photochemistry and Photobiology

Quartile SCImago

Quartile WOS

Impact factor

3.3

ISSN

00318655 (Print)
17511097 (Electronic)

Labs

Laboratory of Quantum Chemistry and Molecular Modeling

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