Our work presented today at the #PhysicsOfBiomolecules workshop in Bressanone sites.unimi.it/bressanone/!
@ollyfutur.bsky.social will show our enhanced sampling MD for #RNA-Mg2+ binding, its application to an intron used as a target for #CASP16, and validation of results against #cryoEM data
R1260 CASP target, water and ions around RNA. Ground truth on left, blind prediction from SoutheRNA MD simulations on right.
#MD blind predictions of water/ions around Tetrahymena ribozyme #RNA matched cryo-EM data better than our baselines! Congrats #CASP16 + @rachael-kretsch.bsky.social + 23 brave groups. Still a ways to go — time for #DeepLearning of water? Community paper: doi.org/10.1002/prot...
The work describing the #CASP16 solvation challenge has been published in Proteins journal! doi.org/10.1002/prot...
Our work presented at the Ultra-Highfield NMR and 4D Structural Biology workshop www.bnmrz.org/4dstructbiol organized by @sattler-lab.bsky.social! @bussigio.bsky.social will show our works on #RNA dynamics integrating #MD, #SAXS, and #NMR and validating a #CASP16 target using #cryoEM data
This collaborative work reports the results of a community-wide #CASP16 challenge to model #RNA hydration using #cryoEM data. Our group participated with a submission by @ollyfutur.bsky.social, Elisa Posani, and @bussigio.bsky.social, which performed very well. 🎯
Overlay of top blind model and cryo-EM structure for OLE RNA complex, only CASP16 RNA target showing strong improvements over prior templates
Assessment of blind 3D structure modeling of #RNA and nucleic acid complexes now out in the #CASP16 special issue, led by @RachaelKretsch. We hope this benchmark, paper, metrics, and expert baselines drive much-needed progress by #CASP17 (May 2026)! doi.org/10.1002/prot...
Our work presented today at the www.youtube.com/@CASPRNASIG online seminar! @bussigio.bsky.social will report on the #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
Our work presented today at the Biophysical Modeling of the Structure and Function of Viruses @cecamevents.bsky.social workshop at the @iescargese.bsky.social! @bussigio.bsky.social will report on the recent #CASP16 solvation challenge and 2D ensemble reconstructions using #DMS data
It was great to be at the #Polish–#Korean #Conference in #Gdańsk. I shared our benchmarks of RNA #3D prediction #methods in the context of small-molecule #docking and drug design, and discussed our team’s recent work in #CASP16.
#RNAprediction #CASP16 #DrugDesign #Bioinformatics #Conference
Our research presented today at the Telluride meeting on #RNA dynamics! @bussigio.bsky.social will report on some of our ongoing projects: the recent #CASP16 solvation challenge, constant pH #MD simulations on #RNA, and 2D ensemble reconstructions using #DMS data
BU BME
A BU-led team, headed by Professors Dima Kozakov and Sandor Vajda, won top honors at #CASP16 for accurately predicting multiprotein complexes, with support from Dr. Taras Patsahan (NAS of Ukraine). A big achievement for science and international collaboration!
Learn more: http://spr.ly/633244Qyni
Our research presented at an @ebi.embl.org workshop on Computational approaches to predict small-molecule/RNA interaction! Today @bussigio.bsky.social will show our #CASP16 results on predicting Mg binding sites and our attempts to model chemical probing experiments
Our Research presented at the Chemistry Department of the Ecole Normale Superieure, Paris. @bussigio.bsky.social will present our efforts to refine force fields for modified nucleotides, to simulate #RNA at constant pH, and to enhance Mg-RNA sampling #casp16. Host: Guillaume Stirnemann
📢 Presentations from #CASP16 are public. Assessment of the RNA-solvation target by @rachael-kretsch.bsky.social is confirmed: our two submissions ranked 1st and 2nd in CC with #cryo-EM 🥳 Congrats to Olivier Languin-Cattoën, Elisa Posani, @bussigio.bsky.social www.predictioncenter.org/casp16/doc/p...
Our work presented at the XBW2024 workshop people.sissa.it/~michelet/XB...! Salvatore Di Marco will show our results on #RNA - #membrane interactions (see doi.org/10.1101/2024...), and @bussigio.bsky.social will show our recent #CASP16 experience with RNA and Mg2+
Our MultiFOLD2 server is also now freely available to all. It's the top-ranked server on the hardest domain targets in #CASP16 by GDT_TS. With integrated stoichiometry prediction it outperforms AF3 on common multimer subsets in CAMEO. www.reading.ac.uk/bioinf/Multi...
The ModFOLDdock2 server is now online and freely available to all. The ModFOLDdock2 variants ranked within the top few groups at #CASP16 in QMODE1/2 metrics. ModFOLDdock2 is the best method for predicting the interface accuracy of modelled protein complexes.
www.reading.ac.uk/bioinf/ModFO...
CASP logo
The results of #CASP16 are online, pdf files of the presentations will be made available next Wednesday through the CASP website. The release of talk recordings will follow soon afterwards.
Big thanks to all participants for an inspiring conference! 🧪 🧬
predictioncenter.org/casp16/
Quote from anonymous #casp16 participant. "AlphaFold is God, and John Jumper is God prophet."
My conference badge with a Caribbean bar in the background
Thanks to #casp16 organizers for the amazing conference! Location was super, science was better
Limited to a single pair of related proteins, but our coarse-grained CALVADOS 3 model did pretty well in #casp16 in predicting the expansion (as probed by SAXS) for 2-domain proteins separated by a flexible linker. In the age of AI, nice to see that simple physics-inspired models can do ok
Preliminary results from #CASP16 assessors suggest our prediction scored very well - we obtained the highest cross correlation between predicted and experimental density maps 🎉. Also Simon Poblete from southeRNA did very well 👏
Day 4 #casp16 ensemble predictions
Teaching protein structure and complex prediction this week. Thanks to #CASP16 posters (notably @torstenschwede.bsky.social and @arneelof.bsky.social ) students are getting results that are <2 days old. Thanks guys.
Our research presented at the #CASP16 meeting www.predictioncenter.org/casp16! @bussigio.bsky.social will give a talk showing the results obtained with Olivier Languin-Cattoën and Elisa Posani on the #RNA solvation target.
"No template, no go", John Moult #casp16
🧬 Just a funny thought about #CASP16 results
Won't somebody please think of the RNAs? 💭
Drop-in a paper to expose this issue, like:
- [When will RNA get its AlphaFold moment?](doi.org/10.1093/nar/...)
- [Thoughts on how to think (and talk) about RNA structure](doi.org/10.1073/pnas...)
