Research group lead by @bussigio.bsky.social at SISSA | #RNA, #moleculardynamics, and more | web: http://bussilab.org
Bussi Lab
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Using both an analytically tractable model and #RNA ensemble refinement, we compare different measures. The choice can substantially affect Bayesian estimates. The Jeffreys measure proves particularly robust to trajectory decimation while providing an invariant definition of posterior averages.
Most ensemble-refinement studies focus on a single optimal (MAP) ensemble. Bayesian posterior sampling also provides uncertainty estimates and posterior averages for arbitrary observables. However, it requires an explicit ensemble-counting measure, whose consequences have received little attention.
Excited to announce our pre-print on the detection of PPI interfaces using ESM3!!! Big thanks to the very young and talented authors www.biorxiv.org/content/10.6...
Our work presented today at the @cecamevents.bsky.social meeting Decoding Allostery in Protein-Nucleic Acid Complexes: The AI Revolution ! www.cecam.org/workshop-det... Maurizio Gilioli discussed our study of Influenza A Virus nucleoproteins using #MD simulations and #cryoEM data
New #openreview from our group at prereview.org/reviews/1973...! @bussigio.bsky.social reviewed a #preprint by @jgreener64.bsky.social and coworkers on the training of a new force field from scratch using quantum mechanical and experimental data. Also available at doi.org/10.5281/zeno...
New #preprint alert! How should we count molecular ensembles in #Bayesian ensemble refinement? Ivan Gilardoni and @bussigio.bsky.social show that this choice affects posterior estimates, and propose an invariant solution based on the Jeffreys measure. arxiv.org/abs/2606.18495 Summary in thread 👇
Our work presented today at the @cecamevents.bsky.social meeting Decoding Allostery in Protein-Nucleic Acid Complexes: The AI Revolution www.cecam.org/workshop-det...! @bussigio.bsky.social will show how we integrate #DMS probing and #cryoEM with computational models for #RNA dynamics
Our work presented today at an internal seminar at Sanofi, Paris, hosted by Evi Gkeka. @bussigio.bsky.social presented our applications integrating #MD simulations and RNA secondary structure prediction with #NMR, #SAXS, #cryoEM, and #DMS data, to reconstruct #RNA dynamics and RNA-Mg interaction
📢 Apply for the #PhD 🎓 in Molecular and Statistical Biophysics at SISSA in lovely Trieste! 3 fully funded fellowships starting Oct 2026. ~8 months of classes, then choose your project. Remote entrance exam. Application deadline: 11.5.2026. Please repost! 👉 msb.sissa.it/join-us/ #joinus
Our work presented at the @rnasociety.bsky.social meeting in Montreal! @ollyfutur.bsky.social and @sdimarco.bsky.social are presenting posters showing how we use enhanced molecular simulations to sample #Mg ion binding and #RNA conformational changes
