Sfoglia per Autore
Comparative analysis of Polyethylene-Degrading Laccases: Redox Properties and Enzyme-Polyethylene Interaction Mechanism.
2025 Orlando, C; Bellei, M; Zampolli, J; Mangiagalli, M; Di Gennaro, P; Lotti, M; De Gioia, L; Marino, T; Di Rocco, G; Greco, C; Arrigoni, F; Bertini, L
ITForge: A Generative AI-Driven Drug Discovery Pipeline for Structure-Based De Novo Drug Design and Molecular Ranking with Open-Source Frameworks
2025 Carbone, G; Sandrone, G; Cosentino, U; Greco, C; Rovelli, G
An Open-Source AI-Driven Pipeline for Structure-Based De Novo Drug Design and Ligand Prioritization: ITForge
2025 Carbone, G; Dante Manenti, A; Cosentino, U; Sandrone, G; Greco, C; Rovelli, G
Large Extent of Convergent Evolution Towards the Double Histone Fold Revealed by Targeted Sequence and Structure Search Approach
2025 Miyake, T; Ranaudo, A; Sacco, E; Greco, C
Enlightening the reaction mechanism of furimazine oxidation in DMSO
2024 Bonardi, A; Greco, C; Cosentino, U; Adamo, C
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations.
2024 Rizza, F; Rovaletti, A; Carbone, G; Miyake, T; Greco, C; Cosentino, U
Guiding Competitive Binding Assays Using Protein–Protein Interaction Prediction: The HER2–Affitin Use Case
2024 Ranaudo, A; Cosentino, U; Greco, C; Moro, G; Maiocchi, A; Moroni, E
Behind the glow: unveiling the nature of NanoLuc reactants and products
2024 Bonardi, A; Turelli, M; Moro, G; Greco, C; Cosentino, U; Adamo, C
CO oxidation mechanism of silver‐substituted Mo/Cu CO‐dehydrogenase. Analogies and differences to the native enzyme
2024 Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Greco, 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
Computational study on light emission by NanoLuc luciferase
2023 Bonardi, A; Turelli, M; Greco, C; Cosentino, U; Adamo, C
Shedding light on bioluminescence: a computational study on light emission by NanoLuc luciferase
2023 Bonardi, A; Turelli, M; Cosentino, U; Greco, C; Adamo, C
Theoretical Investigation of Inorganic Particulate Matter: The Case of Water Adsorption on a NaCl Particle Model Studied Using Grand Canonical Monte Carlo Simulations
2023 Rizza, F; Rovaletti, A; Carbone, G; Miyake, T; Greco, C; Cosentino, U
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
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
Unraveling the Reaction Mechanism of Mo/Cu CO Dehydrogenase Using QM/MM Calculations
2022 Ritacca, A; Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Sicilia, E; Greco, C
Bypassing the statistical limit of singlet generation in sensitized upconversion using fluorinated conjugated systems
2022 Vaghi, L; Rizzo, F; Pedrini, J; Mauri, A; Meinardi, F; Cosentino, U; Greco, C; Monguzzi, A; Papagni, A
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
Computational study on light emission by NLuc luciferase
2022 Bonardi, A; Colombo, M; Cosentino, U; Greco, C; Moro, G; Adamo, C
Can water act as a nucleophile in CO oxidation catalysed by Mo/Cu CO‐dehydrogenase? Answers from theory
2022 Rovaletti, A; Moro, G; Cosentino, U; Ryde, U; Greco, C
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