Atom-level Machine Learning of Protein-glycan Interactions and Cross-chiral Recognition in Glycobiology
Eric J Carpenter, Chuanhao Peng, Simatsidk Haregu, Nicholas M. Twells, Logan Woudstra, Amika Sood, Jonathan Cartmell, Robert J. Woods, Lara K. Mahal, Sheng‐Kai Wang, Russell Greiner, Ratmir Derda
This paper develops MCNet, a machine learning model that predicts protein-glycan binding strength using atom-level representations, enabling cross-chiral recognition and unifying diverse glycobiology datasets.
Science Advances · Dec 5, 2025Peer-reviewedBiochemistry