Author

Katie M Kuo

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Open access Jul 2026

Benchmarking AI Protein Structure Predictors Reveals a Persistent Bias in Multi-State Proteins

Protein structure predictors achieve high single-state accuracy, but it remains unclear whether they can recover functionally relevant conformational ensembles or account for the presence of ligands and/or binding partners. Here, we benchmark AlphaFold3, Boltz-2, Chai-1, and BioEmu on four canonical multi-state protein...

Muhui Ye, Yu-Hong Wang, M. Brogi et al. · bioRxiv · 0 citations