Development of Deep-Learning Models that Predict Quantitative Protein-Ligand Interactions in Glycobiology as a part of a Capstone Course
Haoyan Yin, Weibo Liu, W Zhou, Zechen Chang, Eric J Carpenter, Aashish Satyajith, Simatsidk Haregu, Russell Greiner, Ratmir Derda
The paper develops deep-learning models to predict glycan-protein binding strengths using hybrid datasets and tail-aware losses, finding that glycan interactions are harder than small-molecule interactions due to chiral feature limitations.
bioRxiv · Jun 26, 2026 · PreprintBioinformatics