Lorenzo Cupellini - Publications

Affiliations: 
University of Pisa, Pisa, Toscana, Italy 

38 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2021 Macaluso V, Hashem S, Nottoli M, Lipparini F, Cupellini L, Mennucci B. Ultrafast Transient Infrared Spectroscopy of Photoreceptors with Polarizable QM/MM Dynamics. The Journal of Physical Chemistry. B. PMID 34476939 DOI: 10.1021/acs.jpcb.1c05753  1
2021 Macaluso V, Salvadori G, Cupellini L, Mennucci B. The structural changes in the signaling mechanism of bacteriophytochromes in solution revealed by a multiscale computational investigation. Chemical Science. 12: 5555-5565. PMID 34168792 DOI: 10.1039/d1sc00186h  1
2021 Mascoli V, Liguori N, Cupellini L, Elias E, Mennucci B, Croce R. Uncovering the interactions driving carotenoid binding in light-harvesting complexes. Chemical Science. 12: 5113-5122. PMID 34163750 DOI: 10.1039/d1sc00071c  1
2021 Cardoso Ramos F, Cupellini L, Mennucci B. Computational Investigation of Structural and Spectroscopic Properties of LOV-Based Proteins with Improved Fluorescence. The Journal of Physical Chemistry. B. PMID 33566620 DOI: 10.1021/acs.jpcb.0c10834  1
2021 Nottoli M, Cupellini L, Lipparini F, Granucci G, Mennucci B. Multiscale Models for Light-Driven Processes. Annual Review of Physical Chemistry. PMID 33561359 DOI: 10.1146/annurev-physchem-090419-104031  1
2020 Bondanza M, Cupellini L, Faccioli P, Mennucci B. Molecular Mechanisms of Activation in the Orange Carotenoid Protein Revealed by Molecular Dynamics. Journal of the American Chemical Society. PMID 33332967 DOI: 10.1021/jacs.0c10461  1
2020 Tölle J, Cupellini L, Mennucci B, Neugebauer J. Electronic couplings for photo-induced processes from subsystem time-dependent density-functional theory: The role of the diabatization. The Journal of Chemical Physics. 153: 184113. PMID 33187428 DOI: 10.1063/5.0022677  1
2020 Cupellini L, Lipparini F, Cao J. Absorption and Circular Dichroism Spectra of Molecular Aggregates with the Full Cumulant Expansion. The Journal of Physical Chemistry. B. PMID 32901476 DOI: 10.1021/Acs.Jpcb.0C05180  1
2020 Lapillo M, Cignoni E, Cupellini L, Mennucci B. The energy transfer model of nonphotochemical quenching: Lessons from the minor CP29 antenna complex of plants. Biochimica Et Biophysica Acta. Bioenergetics. 148282. PMID 32721398 DOI: 10.1016/J.Bbabio.2020.148282  1
2020 Sláma V, Cupellini L, Mennucci B. Exciton properties and optical spectra of light harvesting complex II from a fully atomistic description. Physical Chemistry Chemical Physics : Pccp. 22: 16783-16795. PMID 32662461 DOI: 10.1039/D0Cp02492A  1
2020 Bondanza M, Nottoli M, Cupellini L, Lipparini F, Mennucci B. Polarizable embedding QM/MM: the future gold standard for complex (bio)systems? Physical Chemistry Chemical Physics : Pccp. PMID 32588851 DOI: 10.1039/D0Cp02119A  1
2020 Macaluso V, Cupellini L, Salvadori G, Lipparini F, Mennucci B. Elucidating the role of structural fluctuations, and intermolecular and vibronic interactions in the spectroscopic response of a bacteriophytochrome. Physical Chemistry Chemical Physics : Pccp. PMID 32255458 DOI: 10.1039/D0Cp00372G  1
2020 Cupellini L, Calvani D, Jacquemin D, Mennucci B. Charge transfer from the carotenoid can quench chlorophyll excitation in antenna complexes of plants. Nature Communications. 11: 662. PMID 32005811 DOI: 10.1038/S41467-020-14488-6  1
2020 Hashem S, Cupellini L, Lipparini F, Mennucci B. A polarisable QM/MM description of NMR chemical shifts of a photoreceptor protein Molecular Physics. DOI: 10.1080/00268976.2020.1771449  1
2020 Bondanza M, Cupellini L, Lipparini F, Mennucci B. The Multiple Roles of the Protein in the Photoactivation of Orange Carotenoid Protein Chem. 6: 187-203. DOI: 10.1016/J.Chempr.2019.10.014  1
2019 Cardoso Ramos F, Nottoli M, Cupellini L, Mennucci B. The molecular mechanisms of light adaption in light-harvesting complexes of purple bacteria revealed by a multiscale modeling. Chemical Science. 10: 9650-9662. PMID 32055335 DOI: 10.1039/C9Sc02886B  1
2019 Cupellini L, Bondanza M, Nottoli M, Mennucci B. Successes & challenges in the atomistic modeling of light-harvesting and its photoregulation. Biochimica Et Biophysica Acta. Bioenergetics. PMID 31386831 DOI: 10.1016/J.Bbabio.2019.07.004  1
2019 Segatta F, Cupellini L, Garavelli M, Mennucci B. Quantum Chemical Modeling of the Photoinduced Activity of Multichromophoric Biosystems. Chemical Reviews. PMID 31276384 DOI: 10.1021/Acs.Chemrev.9B00135  1
2019 Cupellini L, Wityk P, Mennucci B, Rak J. Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories. Physical Chemistry Chemical Physics : Pccp. PMID 30729242 DOI: 10.1039/C8Cp07700B  1
2018 Iacopino S, Jurinovich S, Cupellini L, Piccinini L, Cardarelli F, Perata P, Mennucci B, Giuntoli B, Licausi F. A synthetic oxygen sensor for plants based on animal hypoxia signalling. Plant Physiology. PMID 30459266 DOI: 10.1104/Pp.18.01003  1
2018 Cupellini L, Caprasecca S, Guido CA, Müh F, Renger T, Mennucci B. Coupling to Charge Transfer States Is the Key to Modulate the Optical Bands for Efficient Light-Harvesting in Purple Bacteria. The Journal of Physical Chemistry Letters. PMID 30449098 DOI: 10.1021/Acs.Jpclett.8B03233  1
2018 Doria S, Lapini A, Di Donato M, Righini R, Azzaroli N, Iagatti A, Caram JR, Sinclair TS, Cupellini L, Jurinovich S, Mennucci B, Zanotti G, Paoletti AM, Pennesi G, Foggi P. Understanding the influence of disorder on the exciton dynamics and energy transfer in Zn-phthalocyanine H-aggregates. Physical Chemistry Chemical Physics : Pccp. 20: 22331-22341. PMID 30124697 DOI: 10.1039/C8Cp02172D  1
2018 Meneghin E, Volpato A, Cupellini L, Bolzonello L, Jurinovich S, Mascoli V, Carbonera D, Mennucci B, Collini E. Coherence in carotenoid-to-chlorophyll energy transfer. Nature Communications. 9: 3160. PMID 30089871 DOI: 10.1038/S41467-018-05596-5  1
2018 Loco D, Jurinovich S, Cupellini L, Menger MFSJ, Mennucci B. The modeling of the absorption lineshape for embedded molecules through a polarizable QM/MM approach. Photochemical & Photobiological Sciences : Official Journal of the European Photochemistry Association and the European Society For Photobiology. PMID 29577138 DOI: 10.1039/C8Pp00033F  1
2018 Nottoli M, Jurinovich S, Cupellini L, Gardiner AT, Cogdell R, Mennucci B. The role of charge-transfer states in the spectral tuning of antenna complexes of purple bacteria. Photosynthesis Research. PMID 29502240 DOI: 10.1007/S11120-018-0492-1  1
2018 Ianeselli A, Orioli S, Spagnolli G, Faccioli P, Cupellini L, Jurinovich S, Mennucci B. The atomic detail of protein folding revealed by an ab initio reappraisal of circular dichroism. Journal of the American Chemical Society. PMID 29473417 DOI: 10.1021/Jacs.7B12399  1
2018 Curutchet C, Cupellini L, Kongsted J, Corni S, Frediani L, Steindal AH, Guido CA, Scalmani G, Mennucci B. Density-Dependent Formulation of Dispersion-Repulsion Interactions in Hybrid Multiscale Quantum/Molecular Mechanics (QM/MM) Models. Journal of Chemical Theory and Computation. PMID 29439575 DOI: 10.1021/Acs.Jctc.7B00912  1
2018 Shiraogawa T, Ehara M, Jurinovich S, Cupellini L, Mennucci B. Frenkel-exciton decomposition analysis of circular dichroism and circularly polarized luminescence for multichromophoric systems. Journal of Computational Chemistry. PMID 29384204 DOI: 10.1002/Jcc.25169  1
2018 Azarias C, Cupellini L, Belhboub A, Mennucci B, Jacquemin D. Modelling excitation energy transfer in covalently linked molecular dyads containing a BODIPY unit and a macrocycle. Physical Chemistry Chemical Physics : Pccp. PMID 29299558 DOI: 10.1039/C7Cp06814J  1
2017 Cupellini L, Giannini S, Mennucci B. Electron and excitation energy transfers in covalently linked donor-acceptor dyads: mechanisms and dynamics revealed using quantum chemistry. Physical Chemistry Chemical Physics : Pccp. 20: 395-403. PMID 29210394 DOI: 10.1039/C7Cp07002K  1
2017 Jurinovich S, Cupellini L, Guido CA, Mennucci B. EXAT: EXcitonic analysis tool. Journal of Computational Chemistry. PMID 29151259 DOI: 10.1002/Jcc.25118  1
2017 Segatta F, Cupellini L, Jurinovich S, Mukamel S, Dapor M, Taioli S, Garavelli M, Mennucci B. A quantum chemical interpretation of two-dimensional electronic spectroscopy of Light-Harvesting complexes. Journal of the American Chemical Society. PMID 28513172 DOI: 10.1021/Jacs.7B02130  1
2017 Azarias C, Russo R, Cupellini L, Mennucci B, Jacquemin D. Modeling excitation energy transfer in multi-BODIPY architectures. Physical Chemistry Chemical Physics : Pccp. PMID 28197587 DOI: 10.1039/C7Cp00427C  1
2016 Fihey A, Russo R, Cupellini L, Jacquemin D, Mennucci B. Is energy transfer limiting multiphotochromism? answers from ab initio quantifications. Physical Chemistry Chemical Physics : Pccp. PMID 28009859 DOI: 10.1039/C6Cp07458H  1
2016 Cupellini L, Jurinovich S, Campetella M, Caprasecca S, Guido CA, Kelly SM, Gardiner AT, Cogdell R, Mennucci B. An Ab Initio Description of the Excitonic Properties of LH2 and Their Temperature Dependence. The Journal of Physical Chemistry. B. PMID 27791372 DOI: 10.1021/Acs.Jpcb.6B06585  1
2016 Cupellini L, Jurinovich S, Prandi IG, Caprasecca S, Mennucci B. Photoprotection and triplet energy transfer in higher plants: the role of electronic and nuclear fluctuations. Physical Chemistry Chemical Physics : Pccp. PMID 27052105 DOI: 10.1039/C6Cp01437B  1
2015 Andreussi O, Caprasecca S, Cupellini L, Guarnetti-Prandi I, Guido CA, Jurinovich S, Viani L, Mennucci B. Plasmon Enhanced Light Harvesting: Multiscale Modeling of the FMO Protein Coupled with Gold Nanoparticles. The Journal of Physical Chemistry. A. 119: 5197-206. PMID 25419640 DOI: 10.1021/Jp509870B  1
2014 Cupellini L, Amovilli C, Mennucci B. Electronic Excitations in Nonpolar Solvents: Can the Polarizable Continuum Model Accurately Reproduce Solvent Effects? The Journal of Physical Chemistry. B. PMID 25302770 DOI: 10.1021/Jp507962N  1
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