Prediction of ligand-dependent conformational sampling of ABC transporters by AlphaFold3 and correlation to experimental structures and energetics
Qingyu Tang, Tianqi Wu, B. Soubasis, Hassane S. Mchaourab
The paper uses AlphaFold3 to predict ligand-dependent conformational changes in ABC transporters and shows these predictions correlate with experimental data and energetics.
bioRxiv · Feb 20, 2026 · PreprintBioinformatics