BERSELLI, ALESSANDRO
BERSELLI, ALESSANDRO
Dipartimento di Scienze Chimiche e Geologiche
Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations
2019 Fortino, Mariagrazia; Berselli, Alessandro; Stone‐weiss, Nicholas; Deng, Lu; Goel, Ashutosh; Du, Jincheng; Pedone, Alfonso
PETase learns from LCC: Redesigning enzymatic reactivity with probability-based simulations
2026 Berselli, Alessandro; Trizio, Enrico; Raucci, Umberto; Ramos, Maria J.; Menziani, Maria Cristina; Muniz-Miranda, Francesco; Parrinello, Michele
Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations
2024 Berselli, A.; Menziani, M. C.; Muniz-Miranda, Francesco.
The effect of ionic strength on PETase enzymes: An experimental and computational study
2026 Berselli, Alessandro; Carletti, Alan; Menziani, Maria Cristina; Bhattacharya, Shapla; Castagna, Rossella; Parisini, Emilio; Di Rocco, Giulia; Muniz-Miranda, Francesco
| Titolo | Data di pubblicazione | Autore(i) | File |
|---|---|---|---|
| Assessment of interatomic parameters for the reproduction of borosilicate glass structures via DFT‐GIPAW calculations | 1-gen-2019 | Fortino, Mariagrazia; Berselli, Alessandro; Stone‐weiss, Nicholas; Deng, Lu; Goel, Ashutosh; Du, Jincheng; Pedone, Alfonso | |
| PETase learns from LCC: Redesigning enzymatic reactivity with probability-based simulations | 1-gen-2026 | Berselli, Alessandro; Trizio, Enrico; Raucci, Umberto; Ramos, Maria J.; Menziani, Maria Cristina; Muniz-Miranda, Francesco; Parrinello, Michele | |
| Structure and Energetics of PET-Hydrolyzing Enzyme Complexes: A Systematic Comparison from Molecular Dynamics Simulations | 1-gen-2024 | Berselli, A.; Menziani, M. C.; Muniz-Miranda, Francesco. | |
| The effect of ionic strength on PETase enzymes: An experimental and computational study | 1-gen-2026 | Berselli, Alessandro; Carletti, Alan; Menziani, Maria Cristina; Bhattacharya, Shapla; Castagna, Rossella; Parisini, Emilio; Di Rocco, Giulia; Muniz-Miranda, Francesco |