MENNUCCI, BENEDETTA Statistiche
MENNUCCI, BENEDETTA
DIPARTIMENTO DI CHIMICA E CHIMICA INDUSTRIALE
A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour
2025-01-01 Nottoli, T.; Bondanza, M.; Lipparini, F.; Mennucci, B.
Fluorescent Rhodopsins: A Challenging Test for Cost-Effective QM/MM Approaches
2025-01-01 Di Prima, Duccio; Pedraza-González, Laura; Reinholdt, Peter; Kongsted, Jacob; Mennucci, Benedetta
A Computational Approach to Modeling Excitation Energy Transfer and Quenching in Light-Harvesting Complexes
2024-01-01 John, Chris; Pedraza-González, Laura; Betti, Elena; Cupellini, Lorenzo; Mennucci, Benedetta
Analogies and Differences in the Photoactivation Mechanism of Bathy and Canonical Bacteriophytochromes Revealed by Multiscale Modeling
2024-01-01 Salvadori, Giacomo; Mennucci, Benedetta
Electronic Excited States from Physically Constrained Machine Learning
2024-01-01 Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele
Electrostatic embedding machine learning for ground and excited state molecular dynamics of solvated molecules
2024-01-01 Mazzeo, Patrizia; Cignoni, Edoardo; Arcidiacono, Amanda; Cupellini, Lorenzo; Mennucci, Benedetta
Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations
2024-01-01 Betti, E.; Saraceno, P.; Cignoni, E.; Cupellini, L.; Mennucci, B.
Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning
2024-01-01 Arcidiacono, A.; Cignoni, E.; Mazzeo, P.; Cupellini, L.; Mennucci, B.
Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations
2024-01-01 Saraceno, Piermarco; Sardar, Samim; Caferri, Roberto; Camargo, Franco V. A.; Dall'Osto, Luca; D'Andrea, Cosimo; Bassi, Roberto; Cupellini, Lorenzo; Cerullo, Giulio; Mennucci, Benedetta
Protein-Driven Electron-Transfer Process in a Fatty Acid Photodecarboxylase
2024-01-01 Londi, G.; Salvadori, G.; Mazzeo, P.; Cupellini, L.; Mennucci, B.
Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes
2024-01-01 Sauer, Paul V.; Cupellini, Lorenzo; Sutter, Markus; Bondanza, Mattia; Agustina Domínguez Martin, María; Kirst, Henning; Bína, David; Fujiet Koh, Adrian; Kotecha, Abhay; Greber, Basil J.; Nogales, Eva; Polívka, Tomáš; Mennucci, Benedetta; Kerfeld, Cheryl A.
The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants
2024-01-01 Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta
The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics
2024-01-01 Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta
Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII
2024-01-01 Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta
Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine
2024-01-01 Moscato, D.; Mandelli, G.; Bondanza, M.; Lipparini, F.; Conte, R.; Mennucci, B.; Ceotto, M.
A ΔSCF model for excited states within a polarisable embedding
2023-01-01 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response
2023-01-01 Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta
Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor
2023-01-01 Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B.
Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy
2023-01-01 Chenchiliyan, Manoop; Kübel, Joachim; Ooi, Saik Ann; Salvadori, Giacomo; Mennucci, Benedetta; Westenhoff, Sebastian; Maj, Michał
How orange carotenoid protein controls the excited state dynamics of canthaxanthin
2023-01-01 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| A Polarizable CASSCF/MM Approach Using the Interface Between OpenMMPol Library and Cfour | 1-gen-2025 | Nottoli, T.; Bondanza, M.; Lipparini, F.; Mennucci, B. | |
| Fluorescent Rhodopsins: A Challenging Test for Cost-Effective QM/MM Approaches | 1-gen-2025 | Di Prima, Duccio; Pedraza-González, Laura; Reinholdt, Peter; Kongsted, Jacob; Mennucci, Benedetta | |
| A Computational Approach to Modeling Excitation Energy Transfer and Quenching in Light-Harvesting Complexes | 1-gen-2024 | John, Chris; Pedraza-González, Laura; Betti, Elena; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Analogies and Differences in the Photoactivation Mechanism of Bathy and Canonical Bacteriophytochromes Revealed by Multiscale Modeling | 1-gen-2024 | Salvadori, Giacomo; Mennucci, Benedetta | |
| Electronic Excited States from Physically Constrained Machine Learning | 1-gen-2024 | Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele | |
| Electrostatic embedding machine learning for ground and excited state molecular dynamics of solvated molecules | 1-gen-2024 | Mazzeo, Patrizia; Cignoni, Edoardo; Arcidiacono, Amanda; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Insights into Energy Transfer in Light-Harvesting Complex II Through Machine-Learning Assisted Simulations | 1-gen-2024 | Betti, E.; Saraceno, P.; Cignoni, E.; Cupellini, L.; Mennucci, B. | |
| Predicting Solvatochromism of Chromophores in Proteins through QM/MM and Machine Learning | 1-gen-2024 | Arcidiacono, A.; Cignoni, E.; Mazzeo, P.; Cupellini, L.; Mennucci, B. | |
| Probing the Effect of Mutations on Light Harvesting in CP29 by Transient Absorption and First-Principles Simulations | 1-gen-2024 | Saraceno, Piermarco; Sardar, Samim; Caferri, Roberto; Camargo, Franco V. A.; Dall'Osto, Luca; D'Andrea, Cosimo; Bassi, Roberto; Cupellini, Lorenzo; Cerullo, Giulio; Mennucci, Benedetta | |
| Protein-Driven Electron-Transfer Process in a Fatty Acid Photodecarboxylase | 1-gen-2024 | Londi, G.; Salvadori, G.; Mazzeo, P.; Cupellini, L.; Mennucci, B. | |
| Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes | 1-gen-2024 | Sauer, Paul V.; Cupellini, Lorenzo; Sutter, Markus; Bondanza, Mattia; Agustina Domínguez Martin, María; Kirst, Henning; Bína, David; Fujiet Koh, Adrian; Kotecha, Abhay; Greber, Basil J.; Nogales, Eva; Polívka, Tomáš; Mennucci, Benedetta; Kerfeld, Cheryl A. | |
| The nature of carotenoid S* state and its role in the nonphotochemical quenching of plants | 1-gen-2024 | Accomasso, Davide; Londi, Giacomo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| The OpenMMPol library for polarizable QM/MM calculations of properties and dynamics | 1-gen-2024 | Bondanza, Mattia; Nottoli, Tommaso; Nottoli, Michele; Cupellini, Lorenzo; Lipparini, Filippo; Mennucci, Benedetta | |
| Ultrafast excited-state dynamics of Luteins in the major light-harvesting complex LHCII | 1-gen-2024 | Pedraza-González, Laura; Accomasso, Davide; Cupellini, Lorenzo; Granucci, Giovanni; Mennucci, Benedetta | |
| Unraveling Water Solvation Effects with Quantum Mechanics/Molecular Mechanics Semiclassical Vibrational Spectroscopy: The Case of Thymidine | 1-gen-2024 | Moscato, D.; Mandelli, G.; Bondanza, M.; Lipparini, F.; Conte, R.; Mennucci, B.; Ceotto, M. | |
| A ΔSCF model for excited states within a polarisable embedding | 1-gen-2023 | Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B. | |
| Deciphering Photoreceptors Through Atomistic Modeling from Light Absorption to Conformational Response | 1-gen-2023 | Salvadori, Giacomo; Mazzeo, Patrizia; Accomasso, Davide; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Fast Method for Excited-State Dynamics in Complex Systems and Its Application to the Photoactivation of a Blue Light Using Flavin Photoreceptor | 1-gen-2023 | Mazzeo, P.; Hashem, S.; Lipparini, F.; Cupellini, L.; Mennucci, B. | |
| Ground-state heterogeneity and vibrational energy redistribution in bacterial phytochrome observed with femtosecond 2D IR spectroscopy | 1-gen-2023 | Chenchiliyan, Manoop; Kübel, Joachim; Ooi, Saik Ann; Salvadori, Giacomo; Mennucci, Benedetta; Westenhoff, Sebastian; Maj, Michał | |
| How orange carotenoid protein controls the excited state dynamics of canthaxanthin | 1-gen-2023 | Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B. |