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Risultati 1 - 20 di 79 (tempo di esecuzione: 0.062 secondi).
Titolo Data di pubblicazione Autore(i) File
Electronic Excited States from Physically Constrained Machine Learning 1-gen-2024 Cignoni, Edoardo; Suman, Divya; Nigam, Jigyasa; Cupellini, Lorenzo; Mennucci, Benedetta; Ceriotti, Michele
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.
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
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
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.
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
How orange carotenoid protein controls the excited state dynamics of canthaxanthin 1-gen-2023 Arcidiacono, A.; Accomasso, D.; 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
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
Machine Learning Exciton Hamiltonians in Light-Harvesting Complexes 1-gen-2023 Cignoni, Edoardo; Cupellini, Lorenzo; Mennucci, Benedetta
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.
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
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.
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