Sfoglia per Autore
Mechanism of RGD-conjugated nanodevice binding to its target protein integrin αVβ3 by atomistic molecular dynamics and machine learning
2024 Frigerio, G; Donadoni, E; Siani, P; Vertemara, J; Motta, S; Bonati, L; De Gioia, L; Di Valentin, C
A De Novo-Designed Type 3 Copper Protein Tunes Catechol Substrate Recognition and Reactivity
2023 Pirro, F; La Gatta, S; Arrigoni, F; Famulari, A; Maglio, O; Del Vecchio, P; Chiesa, M; De Gioia, L; Bertini, L; Chino, M; Nastri, F; Lombardi, A
Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation
2023 Silvestri, G; Arrigoni, F; Persico, F; Bertini, L; Zampella, G; De Gioia, L; Vertemara, J
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells
2023 Donadoni, E; Frigerio, G; Siani, P; Motta, S; Vertemara, J; De Gioia, L; Bonati, L; Di Valentin, C
Oxidation of Phospholipids by OH Radical Coordinated to Copper Amyloid-β Peptide—A Density Functional Theory Modeling
2023 Rovetta, A; Carosella, L; Arrigoni, F; Vertemara, J; De Gioia, L; Zampella, G; Bertini, L
Selective events at individual sites underlie the evolution of monkeypox virus clades
2023 Molteni, C; Forni, D; Cagliani, R; Arrigoni, F; Pozzoli, U; De Gioia, L; Sironi, M
Activation of the N2 molecule by means of low-valence complexes of calcium and magnesium
2023 Rovaletti, A; De Gioia, L; Greco, C; Arrigoni, F
Conjugation of gold nanoparticles with multidentate surfactants for enhanced stability and biological properties
2023 Rotem, R; Giustra, M; Arrigoni, F; Bertolini, J; Garbujo, S; Rizzuto, M; Salvioni, L; Barbieri, L; Bertini, L; De Gioia, L; Colombo, M; Prosperi, D
Potentiation of fluoroquinolone and macrolide activities by efflux pump inhibitory effect on Staphylococcus aureus and Streptococcus pyogenes of new benzyl piperazinyl lysine derivatives
2023 Musumeci, R; Martinelli, M; Giubbi, C; Perdoni, F; Romerio, A; Vertemara, J; De Gioia, L; Peri, F; Cocuzza, C
Use of the Asymmetrical Chelating N-Donor 2-Imino-Pyridine as a Redox [Fe4S4] Cubane Surrogate at a Di-Iron Site Related to [FeFe]-Hydrogenases
2023 Mele, A; Arrigoni, F; De Gioia, L; Elleouet, C; Pétillon, F; Schollhammer, P; Zampella, G
Recent Theoretical Insights into the Oxidative Degradation of Biopolymers and Plastics by Metalloenzymes
2023 Rovaletti, A; De Gioia, L; Fantucci, P; Greco, C; Vertemara, J; Zampella, G; Arrigoni, F; Bertini, L
Normal vs. Inverted Ordering of Reduction Potentials in [FeFe]-Hydrogenases Biomimetics: Effect of the Dithiolate Bulk
2023 Arrigoni, F; De Gioia, L; Elleouet, C; Pétillon, F; Schollhammer, P; Talarmin, J; Zampella, G
Superoxide Reduction by Cu-Amyloid Beta Peptide Complexes: A Density Functional Theory Study
2022 Arrigoni, F; Di Carlo, C; Rovetta, A; De Gioia, L; Zampella, G; Bertini, L
Exome Sequencing in an ADSHE Family: VUS Identification and Limits
2022 Villa, C; Arrigoni, F; Rivellini, E; Lavitrano, M; De Gioia, L; Ferini-Strambi, L; Combi, R
Fluorescence of KCl Aqueous Solution: A Possible Spectroscopic Signature of Nucleation
2022 Villa, A; Doglia, S; De Gioia, L; Natalello, A; Bertini, L
Toward Diiron Dithiolato Biomimetics with Rotated Conformation of the [FeFe]-Hydrogenase Active Site: A DFT Case Study on Electron-Rich, Isocyanide-Based Scaffolds
2022 Arrigoni, F; Rizza, F; Bertini, L; De Gioia, L; Zampella, G
Dating the Emergence of Human Endemic Coronaviruses
2022 Forni, D; Cagliani, R; Pozzoli, U; Mozzi, A; Arrigoni, F; De Gioia, L; Clerici, M; Sironi, M
Homology-based classification of accessory proteins in coronavirus genomes uncovers extremely dynamic evolution of gene content
2022 Forni, D; Cagliani, R; Molteni, C; Arrigoni, F; Mozzi, A; Clerici, M; De Gioia, L; Sironi, M
Machine Learning for Efficient Prediction of Protein Redox Potential: The Flavoproteins Case
2022 Galuzzi, B; Mirarchi, A; Viganò, E; De Gioia, L; Damiani, C; Arrigoni, F
Investigations of the electronic-molecular structure of bio-inorganic systems using modern methods of quantum chemistry
2022 Arrigoni, F; Rovaletti, A; Bertini, L; Breglia, R; De Gioia, L; Greco, C; Vertemara, J; Zampella, G; Fantucci, P
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