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It's finally out!
1mo
Janani Durairaj (Jay)
Now published in NSMB! Paper: doi.org/10.1038/s415... Full PDF: rdcu.be/fhBtI Overview of additions since the preprint👇 (1/5)
1mo
This work introduces the Runs N’ Poses dataset for benchmarking deep learning methods on the protein–ligand complex prediction task. It shows that current methods rely on memorization, challenging the...
doi.org
Evaluating generalization in protein–ligand cofolding methods - Nature Structural & Molecular Biology
Peter Ĺ krinjar
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 🌹Runs N’ Poses🌹! www.biorxiv.org/content/10.1... 🧵👇 (1/n)
Feb 8, 2025
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...
www.biorxiv.org
Have protein-ligand co-folding methods moved beyond memorisation?
Peter Ĺ krinjar