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

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The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling

Author(s): Felipe Cardoso Ramos, Michele Nottoli, Lorenzo Cupellini, Benedetta Mennucci
Published in: Chemical Science, Issue 10/42, 2019, Page(s) 9650-9662, ISSN 2041-6520
DOI: 10.1039/C9SC02886B

Multiscale modelling of photoinduced processes in composite systems

Author(s): Benedetta Mennucci, Stefano Corni
Published in: Nature Reviews Chemistry, Issue 3/5, 2019, Page(s) 315-330, ISSN 2397-3358
DOI: 10.1038/s41570-019-0092-4

The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein

Author(s): Mattia Bondanza, Lorenzo Cupellini, Filippo Lipparini, Benedetta Mennucci
Published in: Chem, Issue 6/1, 2020, Page(s) 187-203, ISSN 2451-9294
DOI: 10.1016/j.chempr.2019.10.014

Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems

Author(s): Francesco Segatta, Lorenzo Cupellini, Marco Garavelli, Benedetta Mennucci
Published in: Chemical Reviews, Issue 119/16, 2019, Page(s) 9361-9380, ISSN 0009-2665
DOI: 10.1021/acs.chemrev.9b00135

Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation

Author(s): Lorenzo Cupellini, Mattia Bondanza, Michele Nottoli, Benedetta Mennucci
Published in: Biochimica et Biophysica Acta (BBA) - Bioenergetics, 2019, Page(s) 148049, ISSN 0005-2728
DOI: 10.1016/j.bbabio.2019.07.004

The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation

Author(s): Riccardo Nifosì, Benedetta Mennucci, Claudia Filippi
Published in: Physical Chemistry Chemical Physics, Issue 21/35, 2019, Page(s) 18988-18998, ISSN 1463-9076
DOI: 10.1039/c9cp03722e

Towards large scale hybrid QM/MM dynamics of complex systems with advanced point dipole polarizable embeddings

Author(s): Daniele Loco, Louis Lagardère, Gérardo A. Cisneros, Giovanni Scalmani, Michael Frisch, Filippo Lipparini, Benedetta Mennucci, Jean-Philip Piquemal
Published in: Chemical Science, Issue 10/30, 2019, Page(s) 7200-7211, ISSN 2041-6520
DOI: 10.1039/c9sc01745c

Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants

Author(s): Lorenzo Cupellini, Dario Calvani, Denis Jacquemin, Benedetta Mennucci
Published in: Nature Communications, Issue 11/1, 2020, ISSN 2041-1723
DOI: 10.1038/s41467-020-14488-6

Elucidating the role of structural fluctuations, intermolecular & vibronic interactions in the spectroscopic response of a bacteriophytochrome

Author(s): Veronica Macaluso, Lorenzo Cupellini, Giacomo Salvadori, Filippo Lipparini, Benedetta Mennucci
Published in: Physical Chemistry Chemical Physics, 2020, ISSN 1463-9076
DOI: 10.1039/D0CP00372G