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Steric hindrances and spectral distributions affecting energy transfer rate: A comparative study on specifically designed donor-acceptor pairs 1-gen-2020 Domenichini, E.; Doria, S.; Di Donato, M.; Cupellini, L.; Biagiotti, G.; Iagatti, A.; Bussotti, L.; Mennucci, B.; Cicchi, S.; Foggi, P.
Multiscale Models for Light-Driven Processes 1-gen-2021 Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Granucci, Giovanni; Mennucci, Benedetta
The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation 1-gen-2021 Macaluso, Veronica; Salvadori, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta
A different perspective for nonphotochemical quenching in plant antenna complexes 1-gen-2021 Cignoni, E.; Lapillo, M.; Cupellini, L.; Acosta-Gutierrez, S.; Gervasio, F. L.; Mennucci, B.
Uncovering the interactions driving carotenoid binding in light-harvesting complexes 1-gen-2021 Mascoli, V.; Liguori, N.; Cupellini, L.; Elias, E.; Mennucci, B.; Croce, Roberta
Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics 1-gen-2021 Macaluso, V.; Hashem, S.; Nottoli, M.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence 1-gen-2021 Cardoso Ramos, Felipe; Cupellini, Lorenzo; Mennucci, Benedetta
From crystallographic data to the solution structure of photoreceptors: the case of the AppA BLUF domain 1-gen-2021 Hashem, S; Macaluso, V; Nottoli, M; Lipparini, F; Cupellini, L; Mennucci, B
Combined spectroscopic and theoretical analysis of the binding of a water-soluble perylene diimide to DNA/RNA polynucleotides and G-quadruplexes 1-gen-2021 Macii, F.; Cupellini, L.; Stifano, M.; Santolaya, J.; Perez-Arnaiz, C.; Pucci, A.; Barone, G.; Garcia, B.; Busto, N.; Biver, T.
Structure of the stress-related LHCSR1 complex determined by an integrated computational strategy 1-gen-2022 Guarnetti Prandi, I.; Slama, V.; Pecorilla, C.; Cupellini, L.; Mennucci, B.
A ΔSCF model for excited states within a polarisable embedding 1-gen-2022 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Unravelling the ultrafast dynamics of a N-BODIPY compound 1-gen-2022 Doria, S.; Taddei, M.; Cupellini, L.; Biagiotti, G.; Bartolini, P.; Bussotti, L.; Cicchi, S.; Foggi, P.; Mennucci, B.; Di Donato, M.
Excitonic Nature of Carotenoid-Phthalocyanine Dyads and Its Role in Transient Absorption Spectra 1-gen-2022 Sláma, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta
A Unique and Stable Polyproline I Helix Sorted out from Conformational Equilibrium by Solvent Polarity 1-gen-2022 Pollastrini, Matteo; Pasquinelli, Luca; Górecki, Marcin; Balzano, Federica; Cupellini, Lorenzo; Lipparini, Filippo; Uccello Barretta, Gloria; Marchetti, Fabio; Pescitelli, Gennaro; Angelici, Gaetano
A fast method for electronic couplings in embedded multichromophoric systems 1-gen-2022 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
The atomistic modeling of light-harvesting complexes from the physical models to the computational protocol 1-gen-2022 Cignoni, Edoardo; Slama, Vladislav; Cupellini, Lorenzo; Mennucci, Benedetta
Exciton transport in molecular organic semiconductors boosted by transient quantum delocalization 1-gen-2022 Giannini, Samuele; Peng, Wei-Tao; Cupellini, Lorenzo; Padula, Daniele; Carof, Antoine; Blumberger, Jochen
Protein control of photochemistry and transient intermediates in phytochromes 1-gen-2022 Salvadori, Giacomo; Macaluso, Veronica; Pellicci, Giulia; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Ultrafast Excited-State Dynamics of Carotenoids and the Role of the SX State 1-gen-2022 Accomasso, Davide; Arslancan, Serra; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Tidying up the conformational ensemble of a disordered peptide by computational prediction of spectroscopic fingerprints 1-gen-2023 Michaelis, Monika; Cupellini, Lorenzo; Mensch, Carl; Perry, Carole C; Delle Piane, Massimo; Colombi Ciacchi, Lucio
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