ProtGlycanDock: Towards Accurate Protein-Glycan Docking with Tailored Dataset, Benchmark and Model
Performing accurate protein-glycan docking is critical to understanding protein-glycan interactions which govern many biological processes. However, this important task is hampered by the lack of tailored datasets, benchmarks and models for protein-glycan docking. To fill this blank, we first curate a standard benchmark ProtGlycanDock for training and evaluating protein-glycan docking models under both protein and glycan generalization settings. On this benchmark, we evaluate ten models in three categories, physics-based docking methods, machine-learning-based docking models and molecular structure prediction models. To obtain more precise binding poses, we further propose two finetuning ...
| Authors | Minghao Xu, Jiaze Song, Jinyu Wang et al. |
|---|---|
| Primary category | cs.LG |
| Published | 19 October 2026 |
| Last updated at source | 19 October 2026 |
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