zPocket: Better Pocket Finding with Frozen Co-Folding Features
Identifying protein-ligand binding sites (pockets) is important for understanding protein function and developing drugs. However, no public method has leveraged co-folding models for novel pocket prediction; furthermore, this task lacks a suitable benchmark as existing benchmarks are within the training distribution of co-folding models. We therefore developed PocketWatch,a curated dataset of biologically relevant ligand pockets. The PocketWatch test set consists of unseen pockets stratified by sequence similarity, structural similarity, and crypticity to enable evaluation of generalization to novel and challenging pockets. Using this dataset, we develop zPocket, a method that trains pock...
| Authors | Tally Portnoi, Allison M Keys, Benjamin R DiFrancesco et al. |
|---|---|
| Primary category | cs.LG |
| Published | 13 October 2026 |
| Last updated at source | 13 October 2026 |
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