Sfoglia per Autore
Mechanism of a nanodevice binding to its target protein by atomistic molecular dynamics: the case of RGD-conjugated PEGylated TiO2 nanoparticles binding to integrins αVβ3
2024 Frigerio, G; Donadoni, E; Siani, P; Vertemara, J; Motta, S; Bonati, L; DE GIOIA, L; DI VALENTIN, C
Multidentate surfactants for improving stability and biological properties
2024 Giustra, M; Arrigoni, F; Novati, B; Garbujo, S; Salvioni, L; Colombo, A; Bertini, L; DE GIOIA, L; Colombo, M
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
Evolution of Virus-like Features and Intrinsically Disordered Regions in Retrotransposon-derived Mammalian Genes
2024 Cagliani, R; Forni, D; Mozzi, A; Fuchs, R; Tussia-Cohen, D; Arrigoni, F; Pozzoli, U; De Gioia, L; Hagai, T; Sironi, M
Molecular Dynamics for the Optimal Design of Functionalized Nanodevices to Target Folate Receptors on Tumor Cells
2024 Donadoni, E; Frigerio, G; Siani, P; Motta, S; Vertemara, J; De Gioia, L; Bonati, L; Di Valentin, C
Mechanism of non-phenolic substrate oxidation by the fungal laccase Type 1 copper site from Trametes versicolor: the case of benzo[a]pyrene and anthracene
2024 Orlando, C; Rizzo, I; Arrigoni, F; Zampolli, J; Mangiagalli, M; Di Gennaro, P; Lotti, M; De Gioia, L; Marino, T; Greco, C; Bertini, L
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
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
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
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
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
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
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
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
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
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
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
Characterization of the p.L145F and p.S135N Mutations in SOD1: Impact on the Metabolism of Fibroblasts Derived from Amyotrophic Lateral Sclerosis Patients
2022 Perciballi, E; Bovio, F; Rosati, J; Arrigoni, F; D'Anzi, A; Lattante, S; Gelati, M; De Marchi, F; Lombardi, I; Ruotolo, G; Forcella, M; Mazzini, L; D'Alfonso, S; Corrado, L; Sabatelli, M; Conte, A; De Gioia, L; Martino, S; Vescovi, A; Fusi, P; Ferrari, D
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
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
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