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Light-Induced Function: from Excitation to Signal through Time and Space

Total Cost €


EC-Contrib. €






 LIFETimeS project word cloud

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

quantum    converted    govern    multiple    travels    parts    world    coarse    scales    simulations    electronic    strategy    milli    conformational    involve    breakthrough    strategies    completeness    completely    organisms    reached    activation    nature    spans    grained    transforming    cascade    techniques    practical    bound    bioactivity    dynamics    molecular    formidably    integration    continuum    description    event    units    reproduce    localized    approximations    laws    codes    responding    requiring    instrument    reveal    computational    principles    biological    functions    machinery    models    seconds    starting    micro    life    calls    subnanoscale    matrix    mechanisms    follow    interactions    domains    ultrafast    point    sensing    initial    atomistic    chromophoric    time    accuracy    light    function    action    observation    excitation    cellular    inside    performance    protein    complete    give    diverse    manipulating    chemistry    space    energy    particles    computing    silico    forms   

Project "LIFETimeS" data sheet

The following table provides information about the project.


Organization address
city: PISA
postcode: 56126

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 Italy [IT]
 Total cost 2˙400˙000 €
 EC max contribution 2˙400˙000 € (100%)
 Programme 1. H2020-EU.1.1. (EXCELLENT SCIENCE - European Research Council (ERC))
 Code Call ERC-2017-ADG
 Funding Scheme ERC-ADG
 Starting year 2018
 Duration (year-month-day) from 2018-09-01   to  2023-08-31


Take a look of project's partnership.

# participants  country  role  EC contrib. [€] 
1    UNIVERSITA DI PISA IT (PISA) coordinator 2˙400˙000.00


 Project objective

Organisms of all domains of life are capable of sensing, using and responding to light. The molecular mechanisms used are diverse, but most commonly the starting event is an electronic excitation localized on a chromophoric unit bound to a protein matrix. The initial excitation rapidly “travels” across space to be converted in other forms of energy and finally used to complete the biological function. The whole machinery spans many different space and time scales: from the ultrafast electronic process localized at the subnanoscale of the chromophoric units, through conformational processes which involve large parts of the protein and are completed within micro- to milli-seconds, up to the activation of new protein-protein interactions requiring seconds or more. Theoretically addressing this cascade of processes calls for new models and computational strategies able to reproduce the dynamics across multiple space and time scales. Such a goal is formidably challenging as the interactions and the dynamics involved at each scale follow completely different laws, from those of the quantum world to those of classical particles. Only a strategy based upon the integration of quantum chemistry, classical atomistic and coarse-grained models up to continuum approximations, can achieve the required completeness of description. This project aims at developing such integration and transforming it into high-performance computing codes. The completeness and accuracy reached by the simulations will represent a breakthrough in our understanding of the mechanisms, which govern the light-driven bioactivity. Through this novel point of observation of the action from the “inside”, it will be possible not only to reveal the ‘design principles’ used by Nature but also to give a “practical” instrument to test “in silico” new techniques for the control of cellular processes by manipulating protein functions through light.


year authors and title journal last update
List of publications.
2020 Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, Filippo Lipparini, Benedetta Mennucci
Elucidating the role of structural fluctuations, intermolecular & vibronic interactions in the spectroscopic response of a bacteriophytochrome
published pages: , ISSN: 1463-9076, DOI: 10.1039/D0CP00372G
Physical Chemistry Chemical Physics 2020-04-01
2019 Francesco Segatta, Lorenzo Cupellini, Marco Garavelli, Benedetta Mennucci
Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems
published pages: 9361-9380, ISSN: 0009-2665, DOI: 10.1021/acs.chemrev.9b00135
Chemical Reviews 119/16 2020-03-05
2019 Benedetta Mennucci, Stefano Corni
Multiscale modelling of photoinduced processes in composite systems
published pages: 315-330, ISSN: 2397-3358, DOI: 10.1038/s41570-019-0092-4
Nature Reviews Chemistry 3/5 2020-03-05
2019 Lorenzo Cupellini, Mattia Bondanza, Michele Nottoli, Benedetta Mennucci
Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation
published pages: 148049, ISSN: 0005-2728, DOI: 10.1016/j.bbabio.2019.07.004
Biochimica et Biophysica Acta (BBA) - Bioenergetics 2020-03-05
2020 Lorenzo Cupellini, Dario Calvani, Denis Jacquemin, Benedetta Mennucci
Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants
published pages: , ISSN: 2041-1723, DOI: 10.1038/s41467-020-14488-6
Nature Communications 11/1 2020-03-05
2020 Mattia Bondanza, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci
The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein
published pages: 187-203, ISSN: 2451-9294, DOI: 10.1016/j.chempr.2019.10.014
Chem 6/1 2020-03-05
2019 Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, Benedetta Mennucci
The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling
published pages: 9650-9662, ISSN: 2041-6520, DOI: 10.1039/C9SC02886B
Chemical Science 10/42 2020-03-05
2019 Daniele Loco, Louis Lagardère, Gérardo A. Cisneros, Giovanni Scalmani, Michael Frisch, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings
published pages: 7200-7211, ISSN: 2041-6520, DOI: 10.1039/c9sc01745c
Chemical Science 10/30 2020-03-05
2019 Riccardo Nifosì, Benedetta Mennucci, Claudia Filippi
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation
published pages: 18988-18998, ISSN: 1463-9076, DOI: 10.1039/c9cp03722e
Physical Chemistry Chemical Physics 21/35 2020-03-05

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