Alexandre Bonvin

@amjjbonvin.bsky.social

Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.

The Critical Assessment of Structure Prediction (CASP) experiment is calling for prediction targets: Immune Complexes, Organic Ligand-Protein Complexes, Nucleic Acids and Complexes, Conformational Ensembles, Difficult Protein Structures and Complexes. 
Rule of Thumb: If AlphaFold3 can generate a high-quality model, it is likely not a CASP-grade challenge. If it struggles, we want it.

It's hard to describe how valuable CASP is to the structural biology & structure prediction field. The ever increasing number of prediction algorithms means independent assessment of their accuracy is vital. Please contribute interesting/tricky structural data if you can!

Torsten Schwede@torstenschwede.bsky.social · 5mo ago

Is #AI hitting a plateau in structure prediction? Help us find out at CASP17! 🧪🧬 Calling for Targets: Immune Complexes, protein - ligand complexes, RNA/DNA, conformational ensembles, membrane proteins, viral origins, and large complexes. The Rule of Thumb: If AF3 can’t model it, we want it.

The Critical Assessment of Structure Prediction (CASP) experiment is calling for prediction targets: Immune Complexes, Organic Ligand-Protein Complexes, Nucleic Acids and Complexes, Conformational Ensembles, Difficult Protein Structures and Complexes. 
Rule of Thumb: If AlphaFold3 can generate a high-quality model, it is likely not a CASP-grade challenge. If it struggles, we want it.

In memory of Prof. Vladimír Sklenář, CEITEC MU awards the Vladimír Sklenář Scholarship. 🎓 CZK 100,000 for PhD students in the Czech & Slovak Republics working with NMR spectroscopy, supporting academic and career development. 📅 Deadline: Feb 28, 2026 Sponsored by Měřicí technika Morava.

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We are happy to announce CAPRI Round 62, featuring a total of nine antigen/antibody targets. Registration opens tomorrow, Jan 23rd. The targets will be offered in two prediction periods, with prediction of the first five targets starting Feb 16th, and of the last four targets starting Mar 16th.

Do you know how to use computational chemistry tools to solve scientific problems? Consider this School to get an intensive crash course on MD, QC and automation on @csc.fi supercomputers topped with lot of interaction with lecturers and participants!

BioExcel CoE@bioexcelcoe.bsky.social · 7mo ago

📢 Registration for the 2026 Computational Chemistry Spring School is open! Theory, hands-on exercises on supercomputer GPUs, poster session and networking 🗓️ 8-10 April 2026 🌍 Espoo, Finland ℹ️ bioexcel.eu/qrhx #compchem #moleculardynamics #quantumchemistry

Looks like OpenFold3 has been formally released in a public "preview". Not quite on parity with AlphaFold3 on a few benchmarks shown, in particular for antibody interactions. All info on the github link. I am sure we will hear more about this from the developers github.com/aqlaboratory...

GitHub - aqlaboratory/openfold-3: OpenFold3: A fully open source biomolecular structure prediction model based on AlphaFold3

OpenFold3: A fully open source biomolecular structure prediction model based on AlphaFold3 - aqlaboratory/openfold-3

github.com