Sfoglia per Autore
Promoting transparency and reproducibility in enhanced molecular simulations
2019-01-01 Bonomi, M.; Bussi, G.; Camilloni, C.; Tribello, G. A.; Banas, P.; Barducci, A.; Bernetti, Mattia; Bolhuis, P. G.; Bottaro, S.; Branduardi, D.; Capelli, R.; Carloni, P.; Ceriotti, M.; Cesari, A.; Chen, H.; Chen, W.; Colizzi, F.; De, S.; De La Pierre, M.; Donadio, D.; Drobot, V.; Ensing, B.; Ferguson, A. L.; Filizola, M.; Fraser, J. S.; Fu, H.; Gasparotto, P.; Gervasio, F. L.; Giberti, F.; Gil-Ley, A.; Giorgino, T.; Heller, G. T.; Hocky, G. M.; Iannuzzi, M.; Invernizzi, M.; Jelfs, K. E.; Jussupow, A.; Kirilin, E.; Laio, A.; Limongelli, V.; Lindorff-Larsen, K.; Lohr, T.; Marinelli, F.; Martin-Samos, L.; Masetti, M.; Meyer, R.; Michaelides, A.; Molteni, C.; Morishita, T.; Nava, M.; Paissoni, C.; Papaleo, E.; Parrinello, M.; Pfaendtner, J.; Piaggi, P.; Piccini, G. M.; Pietropaolo, A.; Pietrucci, F.; Pipolo, S.; Provasi, D.; Quigley, D.; Raiteri, P.; Raniolo, S.; Rydzewski, J.; Salvalaglio, M.; Sosso, G. C.; Spiwok, V.; Sponer, J.; Swenson, D. W. H.; Tiwary, P.; Valsson, O.; Vendruscolo, M.; Voth, G. A.; White, A.
Pressure control using stochastic cell rescaling
2020-01-01 Bernetti, Mattia; Bussi, Giovanni
Toward empirical force fields that match experimental observables
2020-01-01 Froehlking, Thorben; Bernetti, Mattia; Calonaci, Nicola; Bussi, Giovanni
Reweighting of molecular simulations with explicit-solvent SAXS restraints elucidates ion-dependent RNA ensembles
2021-01-01 Bernetti, Mattia; Hall, Kathleen B; Bussi, Giovanni
Comparing state-of-the-art approaches to back-calculate SAXS spectra from atomistic molecular dynamics simulations
2021-01-01 Bernetti, M.; Bussi, G.
Molecular Dynamics of Solids at Constant Pressure and Stress Using Anisotropic Stochastic Cell Rescaling
2022-01-01 Del Tatto, V.; Raiteri, P.; Bernetti, M.; Bussi, G.
Molecular Simulations Matching Denaturation Experiments for N-6-Methyladenosine
2022-01-01 Piomponi, V; Froehlking, T; Bernetti, M; Bussi, G
Molecular Dynamics Simulations with Grand-Canonical Reweighting Suggest Cooperativity Effects in RNA Structure Probing Experiments
2023-01-01 Calonaci, Nicola; Bernetti, Mattia; Jones, Alisha; Sattler, Michael; Bussi, Giovanni
Simultaneous refinement of molecular dynamics ensembles and forward models using experimental data
2023-01-01 Fröhlking, Thorben; Bernetti, Mattia; Bussi, Giovanni
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