2 papers
cs.LG2026
PIT-GCL: Protein Interaction using Topological Graph Contrastive Learning
Jae Won Choi, Ryoonki Hong, Alan Liang +5
Protein binding prediction is central to target identification, therapeutic binder design, and large scale screening, yet remains challenging because binding depends on sequence, t…
q-bio.BM2026
Assay-Aware BindingDB: Curating Experimental Context for Binding Affinity Prediction
Ming-Hsiu Wu, Xuejiao Shirley Guo, Bingsong Zeng +5
Protein--ligand binding affinity prediction is fundamental to computational drug discovery, yet modern AI-driven models are limited by pervasive heterogeneity in their training dat…