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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.

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

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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