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MicroMod-PSII

Microscopic modelling of the highly efficient intra- and inter-antennae energy transfer to the reaction centre in plant photosystem II

Total Cost €

0

EC-Contrib. €

0

Partnership

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 MicroMod-PSII project word cloud

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

calculations    biology    snapshots    strategy    nature    supercomplexes    interfaces    sophisticated    acquire    preparation    harvesting    dynamic    outstanding    calculated    membrane    networking    tool    ground    scientific    psii    complementary    multiple    light    broad    unravel    interplay    transfer    microscopic    simulation    significantly    structure    framework    modelled    mechanism    reaction    toward    structural    length    micromod    researcher    sunlight    unrivalled    flexibility    expertise    team    organisation    emerge    complexes    grained    scales    procedure    rigorous    structures    chemical    suited    energy    thereon    initio    quantum    reactions    electronic    chromophore    computational    almost    simulations    excitation    leadership    engagement    plant    dynamics    catalysed    first    thylakoid    resolution    transform    performed    group    extensive    host    public    centre    inter    time    coarse    purpose    skills    techniques    ab    conserved    patches    career    molecular    variety    antennae    excited    outer    grain    chemistry    atomistic    physiological    unprecedented    protein    improvement    excellent    photosystem   

Project "MicroMod-PSII" data sheet

The following table provides information about the project.

Coordinator
RIJKSUNIVERSITEIT GRONINGEN 

Organization address
address: Broerstraat 5
city: GRONINGEN
postcode: 9712CP
website: www.rug.nl

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 Netherlands [NL]
 Project website http://www.cgmartini.nl
 Total cost 165˙598 €
 EC max contribution 165˙598 € (100%)
 Programme 1. H2020-EU.1.3.2. (Nurturing excellence by means of cross-border and cross-sector mobility)
 Code Call H2020-MSCA-IF-2016
 Funding Scheme MSCA-IF-EF-ST
 Starting year 2017
 Duration (year-month-day) from 2017-04-01   to  2019-03-31

 Partnership

Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    RIJKSUNIVERSITEIT GRONINGEN NL (GRONINGEN) coordinator 165˙598.00

Map

 Project objective

MicroMod-PSII aims to provide an unprecedented microscopic, structure-based understanding of the excitation energy transfer mechanism in plant photosystem II (PSII) from the outer antennae complexes to the reaction centre under physiological conditions. It will unravel nature’s highly sophisticated way of harvesting sunlight in unrivalled detail. Within the framework of MicroMod-PSII, the first-ever coarse grained molecular dynamics simulations at almost atomistic resolution of PSII supercomplexes in thylakoid membrane patches will be performed. Based thereon, the intra- and inter-antennae excitation energy transfer toward the reaction centre will be modelled using high-level ab initio quantum chemistry. For this purpose, a procedure will be developed to transform coarse grained molecular dynamics snapshots into atomistic structures best suited for quantum chemical calculations. The calculated chromophore properties will provide a detailed understanding of the interplay between rigorous, highly conserved structural organisation and dynamic flexibility at the protein-protein interfaces and its impact on the outstanding light harvesting properties of PSII. The overall strategy developed during MicroMod-PSII can emerge as an important tool for computational biology as it allows modelling of a wide variety of reactions in the electronic ground or excited state catalysed by protein supercomplexes. During MicroMod-PSII, the researcher will acquire extensive expertise in state-of-the-art coarse grain molecular dynamics and will transfer knowledge in quantum chemistry and quantum dynamics to the host group. The improvement of complementary skills such as scientific management, networking, public engagement and team leadership will significantly develop the researcher. Together with the broad knowledge of state-of-the-art simulation techniques covering multiple time and length scales, this will provide excellent preparation for the researcher’s next scientific career step.

 Publications

year authors and title journal last update
List of publications.
2019 Sebastian Thallmair, Petteri A. Vainikka, Siewert J. Marrink
Lipid Fingerprints and Cofactor Dynamics of Light-Harvesting Complex II in Different Membranes
published pages: 1446-1455, ISSN: 0006-3495, DOI: 10.1016/j.bpj.2019.03.009
Biophysical Journal 116/8 2019-09-25
2017 Julius P. P. Zauleck, Sebastian Thallmair, Regina de Vivie-Riedle
Revisiting an approximation in the Wilson G-matrix formalism and its impact on molecular quantum dynamics
published pages: , ISSN: , DOI:
2019-09-25
2018 Sebastian Thallmair, Petteri A. Vainikka, Siewert-Jan Marrink
Molecular Dynamcis of Light-Harvesting Complex II Embedded in the Thylakoid Membrane
published pages: 522a, ISSN: 0006-3495, DOI: 10.1016/j.bpj.2017.11.2853
Biophysical Journal 114/3 2019-09-25
2018 Sebastian Thallmair, Helgi I. Ingólfsson, Siewert J. Marrink
Cholesterol Flip-Flop Impacts Domain Registration in Plasma Membrane Models
published pages: 5527-5533, ISSN: 1948-7185, DOI: 10.1021/acs.jpclett.8b01877
The Journal of Physical Chemistry Letters 9/18 2019-09-25
2019 Sebastian Thallmair, Siewert J. Marrink
Chromophore arrangement in light-harvesting complex II influenced by the protein dynamics on the microsecond time scale
published pages: 9039, ISSN: 2100-014X, DOI: 10.1051/epjconf/201920509039
EPJ Web of Conferences 205 2019-09-25

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