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PhotoMutant SIGNED

Rational Design of Photoreceptor Mutants with Desired Photochemical Properties

Total Cost €

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EC-Contrib. €

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Partnership

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 PhotoMutant project word cloud

Explore the words cloud of the PhotoMutant project. It provides you a very rough idea of what is the project "PhotoMutant" about.

viewpoint    life    disciplines    converters    altered    essence    proteorhodopsins    mutation    spatial    protein    ground    experimentally    synthesized    nature    gained    derive    organisms    energies    photoreceptor    hence    mind    reactivity    insights    ultimately    experiments    biosensors    lifetime    multireference    proteins    interactions    models    subfamilies    emission    biological    mutants    cells    wild    prominent    exactly    green    systematic    absorption    constructed    from    utilized    collaborators    attempts    mutations    lt    outcome    biotechnological    sensitive    efficiency    towering    technological    successfully    mol    feedback    breaking    candidates    temporal    variety    predict    methodology    sensing    risk    shown    excited    scope    excitation    cyanobacteriochromes    visualize    calculated    accuracy    light    photochemical    simulation    proposing    kcal    experimentalists    gain    basis    probes    science    accurate    computer    quantum    modeling    despite    optogenetic    fluorescent    simulations    tools    spectra    yields   

Project "PhotoMutant" data sheet

The following table provides information about the project.

Coordinator
THE HEBREW UNIVERSITY OF JERUSALEM 

Organization address
address: EDMOND J SAFRA CAMPUS GIVAT RAM
city: JERUSALEM
postcode: 91904
website: www.huji.ac.il

contact info
title: n.a.
name: n.a.
surname: n.a.
function: n.a.
email: n.a.
telephone: n.a.
fax: n.a.

 Coordinator Country Israel [IL]
 Total cost 1˙397˙475 €
 EC max contribution 1˙397˙475 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2015-STG
 Funding Scheme ERC-STG
 Starting year 2016
 Duration (year-month-day) from 2016-02-01   to  2021-01-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    THE HEBREW UNIVERSITY OF JERUSALEM IL (JERUSALEM) coordinator 1˙397˙475.00

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 Project objective

From a technological viewpoint photoreceptor proteins, the light-sensitive proteins involved in the sensing and response to light in a variety of organisms, represent biological light converters. Hence they are successfully utilized in a number of technological applications, e.g. the green-fluorescent protein used to visualize spatial and temporal information in cells. However, despite the ground-breaking nature of this utilization in life science and other disciplines, the attempts to design a photoreceptor for a particular application by protein mutation remains an open challenge. This is exactly the scope of my research proposal: the application of multi-scale modelling for the systematic design of biological photoreceptor mutants.

With this target in mind I will study representatives of two prominent photoreceptor proteins subfamilies which are of towering interest to experimentalists: proteorhodopsins and cyanobacteriochromes. Computer models of these proteins will be constructed using accurate multi-scale modeling. Their excitation energies and other properties (e.g. excited-state reactivity and efficiency) will be calculated using multireference methods that were shown to have an accuracy of <3 kcal/mol. The insights gained from simulations of the wild-type proteins will provide the basis for proposing mutations with altered photochemical properties: in essence to predict absorption and emission spectra, excited-state lifetime and quantum yields.

This research requires interactions across the disciplines, as the best candidates will be synthesized and characterized experimentally by collaborators. The outcome of these experiments will provide feedback to improve both the properties of the mutants and the simulation methodology. Ultimately this high-risk/high gain project should derive a comprehensive understanding that would result in novel biotechnological applications, e.g. optogenetic tools, fluorescent probes and biosensors.

 Publications

year authors and title journal last update
List of publications.
2018 Veniamin A. Borin, Christian Wiebeler, Igor Schapiro
A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsin
published pages: 137-152, ISSN: 1359-6640, DOI: 10.1039/c7fd00198c
Faraday Discussions 207 2019-10-08
2019 Rajiv Kumar Kar, Veniamin A. Borin, Yonghong Ding, Jörg Matysik, Igor Schapiro
Spectroscopic Properties of Lumiflavin: A Quantum Chemical Study
published pages: , ISSN: 0031-8655, DOI: 10.1111/php.13023
Photochemistry and Photobiology 2019-10-08
2017 Christian Wiebeler, Veniamin Borin, Adalberto Vasconcelos Sanchez de Araújo, Igor Schapiro, Antonio Carlos Borin
Excitation Energies of Canonical Nucleobases Computed by Multiconfigurational Perturbation Theories
published pages: 888-902, ISSN: 0031-8655, DOI: 10.1111/php.12765
Photochemistry and Photobiology 93/3 2019-07-08
2018 Yoni Toker, Jeppe Langeland, Elisabeth Gruber, Christina Kjær, Steen Brøndsted Nielsen, Lars H. Andersen, Veniamin A. Borin, Igor Schapiro
Counterion-controlled spectral tuning of the protonated Schiff-base retinal
published pages: 43428, ISSN: 2469-9926, DOI: 10.1103/physreva.98.043428
Physical Review A 98/4 2019-05-07
2017 Samer Gozem, Hoi Ling Luk, Igor Schapiro, Massimo Olivucci
Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores
published pages: 13502-13565, ISSN: 0009-2665, DOI: 10.1021/acs.chemrev.7b00177
Chemical Reviews 117/22 2019-05-07
2018 Saumik Sen, Igor Schapiro
A comprehensive benchmark of the XMS-CASPT2 method for the photochemistry of a retinal chromophore model
published pages: 2571-2582, ISSN: 0026-8976, DOI: 10.1080/00268976.2018.1501112
Molecular Physics 116/19-20 2019-05-07
2017 Shirel Cohen, Veniamin Borin, Igor Schapiro, Sanaa Musa, Sophie De-Botton, Natalia V. Belkova, Dmitri Gelman
Ir(III)-PC(sp 3 )P Bifunctional Catalysts for Production of H 2 by Dehydrogenation of Formic Acid: Experimental and Theoretical Study
published pages: 8139-8146, ISSN: 2155-5435, DOI: 10.1021/acscatal.7b02482
ACS Catalysis 7/12 2019-05-07
2018 C. Schnedermann, X. Yang, M. Liebel, K. M. Spillane, J. Lugtenburg, I. Fernández, A. Valentini, I. Schapiro, M. Olivucci, P. Kukura, R. A. Mathies
Evidence for a vibrational phase-dependent isotope effect on the photochemistry of vision
published pages: 449-455, ISSN: 1755-4330, DOI: 10.1038/s41557-018-0014-y
Nature Chemistry 10/4 2019-05-07
2016 Yanan Guo, Franziska E. Beyle, Beatrix M. Bold, Hiroshi C. Watanabe, Axel Koslowski, Walter Thiel, Peter Hegemann, Marco Marazzi, Marcus Elstner
Active site structure and absorption spectrum of channelrhodopsin-2 wild-type and C128T mutant
published pages: 3879-3891, ISSN: 2041-6520, DOI: 10.1039/c6sc00468g
Chemical Science 7/6 2019-05-07
2018 Jeremias C. Zill, Zhihui He, Marcus Tank, Bryan H. Ferlez, Daniel P. Canniffe, Yigal Lahav, Peter Bellstedt, A. Alia, Igor Schapiro, John H. Golbeck, Donald A. Bryant, Jörg Matysik
15N photo-CIDNP MAS NMR analysis of reaction centers of Chloracidobacterium thermophilum
published pages: 295-305, ISSN: 0166-8595, DOI: 10.1007/s11120-018-0504-1
Photosynthesis Research 137/2 2019-05-07
2018 Veniamin A. Borin, Christian Wiebeler, Igor Schapiro
A QM/MM study of the initial excited state dynamics of green-absorbing proteorhodopsin
published pages: 137-152, ISSN: 1359-6640, DOI: 10.1039/c7fd00198c
Faraday Discussions 207 2019-05-07
2018 Revannath L. Sutar, Saumik Sen, Or Eivgi, Gal Segalovich, Igor Schapiro, Ofer Reany, N. Gabriel Lemcoff
Guiding a divergent reaction by photochemical control: bichromatic selective access to levulinates and butenolides
published pages: 1368-1374, ISSN: 2041-6520, DOI: 10.1039/c7sc05094a
Chemical Science 9/5 2019-05-07

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