Bernetti, Mattia
Bernetti, Mattia
Dipartimento di Scienze Biomolecolari (DISB)
Comparing state-of-the-art approaches to back-calculate SAXS spectra from atomistic molecular dynamics simulations
2021 Bernetti, M.; Bussi, G.
Computational drug discovery under RNA times
2022 Bernetti, M.; Aguti, R.; Bosio, S.; Recanatini, M.; Masetti, M.; Cavalli, A.
Data-Driven Molecular Dynamics: A Multifaceted Challenge
2020 Bernetti, Mattia; Bertazzo, Martina; Masetti, Matteo
Enhanced Molecular Dynamics Simulations of Intrinsically Disordered Proteins
2020 Masetti, Matteo; Bernetti, Mattia; Cavalli, Andrea
Integrating experimental data with molecular simulations to investigate RNA structural dynamics
2023 Bernetti, M; Bussi, G
Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling
2022 Del Tatto, V.; Raiteri, P.; Bernetti, M.; Bussi, G.
Molecular Dynamics Simulations of Chemically Modified Ribonucleotides
2023 Piomponi, Valerio; Bernetti, Mattia; Bussi, Giovanni
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments
2023 Calonaci, Nicola; Bernetti, Mattia; Jones, Alisha; Sattler, Michael; Bussi, Giovanni
Molecular Simulations Matching Denaturation Experiments for N-6-Methyladenosine
2022 Piomponi, V; Froehlking, T; Bernetti, M; Bussi, G
On the allosteric puzzle and pocket crosstalk through computational means
2023 Aguti, R; Bernetti, M; Bosio, S; Decherchi, S; Cavalli, A
Pressure control using stochastic cell rescaling
2020 Bernetti, Mattia; Bussi, Giovanni
Probing allosteric communication with combined molecular dynamics simulations and network analysis
2024 Bernetti, Mattia; Bosio, Stefano; Bresciani, Veronica; Falchi, Federico; Masetti, Matteo
Reweighting of molecular simulations with explicit-solvent SAXS restraints elucidates ion-dependent RNA ensembles
2021 Bernetti, Mattia; Hall, Kathleen B; Bussi, Giovanni
Similarities and Differences in Ligand Binding to Protein and RNA Targets: The Case of Riboflavin
2024 Bosio, Stefano; Bernetti, Mattia; Rocchia, Walter; Masetti, Matteo
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data
2023 Fröhlking, Thorben; Bernetti, Mattia; Bussi, Giovanni
Toward empirical force fields that match experimental observables
2020 Froehlking, Thorben; Bernetti, Mattia; Calonaci, Nicola; Bussi, Giovanni