sandrobottaro.bsky.social

Excited to unveil Boltz-2, our new model capable not only of predicting structures but also binding affinities! Boltz-2 is the first AI model to approach the performance of FEP simulations while being more than 1000x faster! All open-sourced under MIT license! A thread… 🤗🚀

Overlayed configurations of a small molecule binding (?) to an unstructured protein

We have a job opening at Peptone.io for an ML researcher.

Come help us find new ways to understand and drug intrinsically disordered proteins (IDPs), it's a very interesting and important problem!

Link in the reply ↓

Check out our recent preprint 👇on counting particles to estimate populations in #cryoem: noise can bias the estimates; with Luke Evans & a great team.

Delighted to announce that our paper "Predicting absolute protein folding stability using generative models"(lnkd.in/dZJMiY4r) has been awarded the Protein Science BEST PAPER 2024 by @proteinsociety.bsky.social.

We are sill accepting applications for poster presentations at the CECAM conference 'RNA Modelling Across Scales". Join us in the beautiful Trieste ☀️🏖️🏰! Apply now: www.cecam.org/workshop-det... Co-organized with @bussigio.bsky.social @marcodevivo.bsky.social

Our paper on prediction of phase-separation propensities of disordered proteins from sequence is now published:
www.pnas.org/doi/10.1073/...

The paper has been substantially updated compared to the preprint including new experimental data and using the neural network to finetune CALVADOS. 1/n

This is the moment we've worked toward for a long time: First public disclosure of the @asapdiscovery.bsky.social pan-coronavirus antiviral aiming to help keep humanity safe from future pandemic threats like MERS-CoV and other bat coronaviruses.

We’re looking for fellow nerds to help us make disordered proteins druggable. Love #IDPs, #MD, #NMR, #AI, #DrugDiscovery, or #MassSpec? Let’s talk.
@bindresearch.org is hiring across the board: bindresearch.org/careers/
#compchem #compbio #NMRChat #TeamMassSpec #chemjobs @chemjobber.bsky.social

link is broken but I think I know that paper 😇

📌 Don't miss our Research Nodes #seminar this week, with Dr. @lindorfflarsen.bsky.social, from the #LinderstrømLang Centre for Protein Science (Denmark)👇

🤝 Hosted by Dr. @xsalvatella1.bsky.social  

Register now! ➡️ shorturl.at/Q1LVA

#BarcelonaBiomed

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Conclusion slide on RNA assessment

Conclusion of RNA assessors in #CASP16 - we are still in the “template” phase. Prediction of nucleic acids structure is still challenging for targets without templates, often relying on intuition. No big leap in accuracy since CASP15. AI based methods have not (yet?) made a major difference.

Our research presented at the @cecamevents.bsky.social workshop www.cecam.org/workshop-det...! Ivan Gilardoni will show a poster about our #python package MDrefine. See also arxiv.org/abs/2411.07798

Meet the CALVADOS RNA model

Ikki Yasuda, Sören von Bülow & Giulio Tesei have parameterized a simple model for disordered RNA. Despite it's simplicity (no sequence, no base pairing) we find that it captures several phenomena that depend on the charge, stickiness and polymer properties of RNA 🧬🧶🧪