Refining Embedding-Based Binding Predictions by Leveraging AlphaFold2 Structures
Leopold Endres, Tobias Olenyi, Kyra Erckert, Konstantin Weißenow, Burkhard Rost, Maria Littmann
The paper introduces bindAdjust, a method that improves binding predictions by incorporating structural information from AlphaFold2, enhancing recall for small molecule binding and expanding predictions to larger binding sites.
bioRxiv · Aug 31, 2022 · PreprintBioinformatics