Sfoglia per Autore
Toward a mechanistic understanding of bioluminescence: a theoretical study of furimazine oxidation and luminescence
2026 Bonardi, A; Turelli, M; Ranaudo, A; Moro, G; Greco, C; Ciofini, I; Cosentino, U; Adamo, C
Critical assessment of theoretical modelling of single-atom catalysts
2026 Bilgin, H; Bonardi, A; Spotti, M; Di Liberto, G; Pacchioni, G
Nature and pH-dependent surface chemistry of TiN in aqueous environment from ab-initio and machine learning accelerated simulations
2026 Saetta, C; Bonardi, A; Todisco, R; Barlocco, I; Villa, A; Morittu, A; Piccini, G; Liberto, G
Computational study on the bioluminescence of the NanoLuc-Furimazine system
2025 Bonardi, A
Sensing diclofenac with DNA aptamers: an atomistic picture from molecular modelling
2025 Bonnant, L; Bonardi, A; Ottochian, A; Mamadou, A; Njogu, R; Slim, C; Griveau, S; Labat, F; Ciofini, I; Turelli, M
Adaptable Range-Separated Hybrids for the Description of Excited States: Tuning the Range Separation Parameter on Effective Charge Transfer Distance
2025 Yan, T; Bonardi, A; Adamo, C; Ciofini, I
Role of Water in Modulating the Fe3+/Fe2+Redox Couple in Iron-Based Complexes and Single-Atom Catalysts
2025 Bonardi, A; Xu, S; Di Liberto, G; Pacchioni, G
Enlightening the reaction mechanism of furimazine oxidation in DMSO
2024 Bonardi, A; Greco, C; Cosentino, U; Adamo, C
Behind the glow: unveiling the nature of NanoLuc reactants and products
2024 Bonardi, A; Turelli, M; Moro, G; 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
Computational study on light emission by NanoLuc luciferase
2023 Bonardi, A; Turelli, M; Greco, C; Cosentino, U; Adamo, C
Computational study on light emission by NLuc luciferase
2022 Bonardi, A; Colombo, M; Cosentino, U; Greco, C; Moro, G; Adamo, C
Evaluation of docking procedures reliability in affitins-partners interactions
2022 Ranaudo, A; Cosentino, U; Greco, C; Moro, G; Bonardi, A; Maiocchi, A; Moroni, E
Computational study on the structural stability of mutated Affitins
2021 Ranaudo, A; Bonardi, A; Cosentino, U; Greco, C; Moro, G; Moroni, E; Maiocchi, A
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