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

Total Cost €


EC-Contrib. €






 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.

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

Project "MicroMod-PSII" data sheet

The following table provides information about the project.


Organization address
address: Broerstraat 5
postcode: 9712CP

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
 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


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 


 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.


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:
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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