DONATI, GRETA

DONATI, GRETA  

DIPARTIMENTO DI FARMACIA  

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Risultati 1 - 20 di 33 (tempo di esecuzione: 0.032 secondi).
Titolo Tipologia Data di pubblicazione Autore(i) File
Turn-on fluorescence detection of protein by molecularly imprinted hydrogels based on supramolecular assembly of peptide multi-functional blocks 1.1 Articolo in rivista 2018 Battista, Edmondo; Scognamiglio, Pasqualina L.; Di Luise, Nunzia; Raucci, Umberto; Donati, Greta; Rega, Nadia; Netti, Paolo A.; Causa, Filippo
On the different strength of photoacids 1.1 Articolo in rivista 2016 Cimino, Paola; Raucci, Umberto; Donati, Greta; Chiariello, MARIA GABRIELLA; Schiazza, Martina; Coppola, Federico; Rega, Nadia
"Watching" Polaron Pair Formation from First-Principles Electron-Nuclear Dynamics 1.1 Articolo in rivista 2016 Donati, Greta; Lingerfelt, David B; Petrone, Alessio; Rega, Nadia; Li, Xiaosong
On the Driving Force of the Excited-State Proton Shuttle in the Green Fluorescent Protein: A Time-Dependent Density Functional Theory (TD-DFT) Study of the Intrinsic Reaction Path 1.1 Articolo in rivista 2016 Petrone, Alessio; Cimino, Paola; Donati, Greta; Hratchian, Hrant P; Frisch, Michael J; Rega, Nadia
Absorption and emission spectral shapes of a prototype dye in water by combining classical/dynamical and quantum/static approaches 1.1 Articolo in rivista 2015 Petrone, Alessio; Cerezo, Javier; Ferrer, Francisco J. Avila; Donati, Greta; Improta, Roberto; Rega, Nadia; Santoro, Fabrizio
Time-resolved vibrational analysis to unveil excited state proton transfer mechanisms: A theoretical-computational protocol 4.2 Abstract in Atti di convegno 2014 Donati, Greta; Petrone, Alessio; Rega, Nadia
Understanding THz and IR signals beneath time-resolved fluorescence from excited state ab-initio dynamics 1.1 Articolo in rivista 2014 Petrone, Alessio; Donati, Greta; Pasquale, Caruso; Rega, Nadia
Electronic spectroscopy of a solvatochromic dye in water: comparison of static cluster/implicit and dynamical/explicit solvent models on structures and energies 1.1 Articolo in rivista 2016 Cerezo, Javier; Petrone, Alessio; Ferrer, Francisco J. Avila; Donati, Greta; Santoro, Fabrizio; Improta, Roberto; Rega, Nadia
The mechanism of a green fluorescent protein proton shuttle unveiled in the time-resolved frequency domain by excited state ab initio dynamics 1.1 Articolo in rivista 2018 Donati, Greta; Petrone, Alessio; Caruso, Pasquale; Rega, Nadia
Ab-initio molecular dynamics and hybrid explicit-implicit solvation model for aqueous and nonaqueous solvents: GFP chromophore in water and methanol solution as case study 1.1 Articolo in rivista 2020 Raucci, U.; Perrella, F.; Donati, G.; Zoppi, M.; Petrone, A.; Rega, N.
Multiresolution continuous wavelet transform for studying coupled solute-solvent vibrations via ab initio molecular dynamics 1.1 Articolo in rivista 2020 Donati, G.; Petrone, A.; Rega, N.
A Not Obvious Correlation Between the Structure of Green Fluorescent Protein Chromophore Pocket and Hydrogen Bond Dynamics: A Choreography From ab initio Molecular Dynamics 1.1 Articolo in rivista 2020 Coppola, F.; Perrella, F.; Petrone, A.; Donati, G.; Rega, N.
Time-Resolved Vibrational Analysis of Excited State Ab Initio Molecular Dynamics to Understand Photorelaxation: The Case of the Pyranine Photoacid in Aqueous Solution 1.1 Articolo in rivista 2020 Chiariello, M. G.; Donati, G.; Rega, N.
Efficient Hybrid Particle-Field Coarse-Grained Model of Polymer Filler Interactions: Multiscale Hierarchical Structure of Carbon Black Particles in Contact with Polyethylene 1.1 Articolo in rivista 2021 Caputo, S.; Hristov, V.; Nicola, A. D.; Herbst, H.; Pizzirusso, A.; Donati, G.; Munao, G.; Albunia, A. R.; Milano, G.
Enriching the arsenal of pharmacological tools against mical2 1.1 Articolo in rivista 2021 Barravecchia, I.; Barresi, E.; Russo, C.; Scebba, F.; De Cesari, C.; Mignucci, V.; De Luca, D.; Salerno, S.; La Pietra, V.; Giustiniano, M.; Pelliccia, S.; Brancaccio, D.; Donati, G.; Da Settimo, F.; Taliani, S.; Angeloni, D.; Marinelli, L.
Interfering with the Tumor-Immune Interface: Making Way for Triazine-Based Small Molecules as Novel PD-L1 Inhibitors 1.1 Articolo in rivista 2021 Russomanno, P.; Assoni, G.; Amato, J.; D'Amore, V. M.; Scaglia, R.; Brancaccio, D.; Pedrini, M.; Polcaro, G.; La Pietra, V.; Orlando, P.; Falzoni, M.; Cerofolini, L.; Giuntini, S.; Fragai, M.; Pagano, B.; Donati, G.; Novellino, E.; Quintavalle, C.; Condorelli, G.; Sabbatino, F.; Seneci, P.; Arosio, D.; Pepe, S.; Marinelli, L.
Nonequilibrium Environment Dynamics in a Frequency-Dependent Polarizable Embedding Model 1.1 Articolo in rivista 2019 Wildman, A.; Donati, G.; Lipparini, F.; Mennucci, B.; Li, X.
Molecular Vibration Induced Plasmon Decay 1.1 Articolo in rivista 2017 Donati, G.; Lingerfelt, D. B.; Aikens, C. M.; Li, X.
Coupling Real-Time Time-Dependent Density Functional Theory with Polarizable Force Field 1.1 Articolo in rivista 2017 Donati, G.; Wildman, A.; Caprasecca, S.; Lingerfelt, D. B.; Lipparini, F.; Mennucci, B.; Li, X.
Anisotropic Polarizability-Induced Plasmon Transfer 1.1 Articolo in rivista 2018 Donati, G.; Lingerfelt, D. B.; Aikens, C. M.; Li, X.