Does your designed active site already exist in nature? Is an uncharacterized protein hiding a catalytic site or a pocket? Folddisco answers both, searching millions of structures for a 3D motif in seconds.
@natbiotech.nature.com ๐งฌ
๐ www.nature.com/articles/s41...
๐งต1/7๐
Now published in NSMB!
Paper: doi.org/10.1038/s415...
Full PDF: rdcu.be/fhBtI
Overview of additions since the preprint๐ (1/5)
Folddisco enables protein structural motif search in million scale databases.
This work introduces the Runs Nโ Poses dataset for benchmarking deep learning methods on the proteinโligand complex prediction task. It shows that current methods rely on memorization, challenging the...
Excited to share our latest preprint evaluating AlphaFold3, Boltz-1, Chai-1 and Protenix for predicting protein-ligand interactions, featuring our newly introduced benchmark dataset ๐นRuns Nโ Poses๐น!
www.biorxiv.org/content/10.1...
๐งต๐ (1/n)
Peter ล krinjar
Deep learning has driven major breakthroughs in protein structure prediction, however the next critical advance is accurately predicting how proteins interact with other molecules, especially small mo...
AlphaFold database has entered the era of complexes. Together with NVIDIA, DeepMind and EBI, we use ColabFold, OpenFold and MMseqs2-GPU to predict ~31 million complexes (homo & hetro-dimers) resulting in 1.8 million high-quality predictions
๐ research.nvidia.com/labs/dbr/ass...
๐ alphafold.ebi.ac.uk
Video
Martin Steinegger ๐บ๐ฆ
Introducing nail - a Rust implementation of profile HMM sequence alignment for proteins. Near-HMMER sensitivity, but a lot faster:
www.biorxiv.org/content/10.1...
github.com/TravisWheele...
Microbial GAIN domains undergo autoproteolysis and enable release of diverse cell surface associated proteins https://www.biorxiv.org/content/10.64898/2026.05.12.724683v1
My latest work! We found that the autoproteolytic GAIN domain which mediates force responsive signaling in adhesion GPCRs is not unique to eukaryotes. The microbial counterparts anchor diverse adhesion, enzymatic, and toxin domains to the cell surface, enabling release by likely mechanical stimuli.
