Sfoglia per Autore
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes
2023-01-01 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures
2023-01-01 Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta
First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex
2023-01-01 Saraceno, Piermarco; Slama, Vladislav; Cupellini, Lorenzo
A ΔSCF model for excited states within a polarisable embedding
2023-01-01 Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B.
How orange carotenoid protein controls the excited state dynamics of canthaxanthin
2023-01-01 Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B.
Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex
2023-01-01 Cupellini, Lorenzo; Qian, Pu; Nguyen-Phan, Tu C; Gardiner, Alastair T; Cogdell, Richard J
Enabling Stereochemical Communication and Stimuli-Responsive Chiroptical Properties in Biphenyl-Capped Cyclodextrins
2023-01-01 Preda, Giovanni; Jung, Sebastian; Pescitelli, Gennaro; Cupellini, Lorenzo; Armspach, Dominique; Pasini, Dario
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.
How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses
2023-01-01 Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta
QM/AMOEBA description of properties and dynamics of embedded molecules
2023-01-01 Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F.
pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs
2023-01-01 Serrano-Chacón, Israel; Mir, Bartomeu; Cupellini, Lorenzo; Colizzi, Francesco; Orozco, Modesto; Escaja, Núria; González, Carlos
Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I
2023-01-01 Slama, V.; Cupellini, L.; Mascoli, V.; Liguori, N.; Croce, R.; Mennucci, B.
Electronic Excited States from Physically Constrained Machine Learning
2024-01-01 Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele
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
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 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
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.
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
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes | 1-gen-2023 | Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| Integrated Computational Study of the Light-Activated Structure of the AppA BLUF Domain and Its Spectral Signatures | 1-gen-2023 | Hashem, Shaima; Alteri, Giovanni Battista; Cupellini, Lorenzo; Mennucci, Benedetta | |
| First-principles simulation of excitation energy transfer and transient absorption spectroscopy in the CP29 light-harvesting complex | 1-gen-2023 | Saraceno, Piermarco; Slama, Vladislav; Cupellini, Lorenzo | |
| A ΔSCF model for excited states within a polarisable embedding | 1-gen-2023 | Nottoli, M.; Mazzeo, P.; Lipparini, F.; Cupellini, L.; Mennucci, B. | |
| How orange carotenoid protein controls the excited state dynamics of canthaxanthin | 1-gen-2023 | Arcidiacono, A.; Accomasso, D.; Cupellini, L.; Mennucci, B. | |
| Quantum chemical elucidation of a sevenfold symmetric bacterial antenna complex | 1-gen-2023 | Cupellini, Lorenzo; Qian, Pu; Nguyen-Phan, Tu C; Gardiner, Alastair T; Cogdell, Richard J | |
| Enabling Stereochemical Communication and Stimuli-Responsive Chiroptical Properties in Biphenyl-Capped Cyclodextrins | 1-gen-2023 | Preda, Giovanni; Jung, Sebastian; Pescitelli, Gennaro; Cupellini, Lorenzo; Armspach, Dominique; Pasini, Dario | |
| 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. | |
| How the pH Controls Photoprotection in the Light-Harvesting Complex of Mosses | 1-gen-2023 | Pedraza-González, Laura; Cignoni, Edoardo; D'Ascenzi, Jacopo; Cupellini, Lorenzo; Mennucci, Benedetta | |
| QM/AMOEBA description of properties and dynamics of embedded molecules | 1-gen-2023 | Nottoli, M.; Bondanza, M.; Mazzeo, P.; Cupellini, L.; Curutchet, C.; Loco, D.; Lagardere, L.; Piquemal, J. -P.; Mennucci, B.; Lipparini, F. | |
| pH-Dependent Capping Interactions Induce Large-Scale Structural Transitions in i-Motifs | 1-gen-2023 | Serrano-Chacón, Israel; Mir, Bartomeu; Cupellini, Lorenzo; Colizzi, Francesco; Orozco, Modesto; Escaja, Núria; González, Carlos | |
| Origin of Low-Lying Red States in the Lhca4 Light-Harvesting Complex of Photosystem I | 1-gen-2023 | Slama, V.; Cupellini, L.; Mascoli, V.; Liguori, N.; Croce, R.; Mennucci, B. | |
| Electronic Excited States from Physically Constrained Machine Learning | 1-gen-2024 | Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele | |
| 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 | |
| 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 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 | |
| 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. | |
| 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 |
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