Author

Arjun Saha

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Open access Aug 2026

Learning Protein–Protein Binding Free Energies from Interface Graphs and Physicochemical Descriptors

Predicting protein–protein binding free energy (ΔG) from structure remains a central challenge in computational biophysics. Here, we present GULP (Graph-based Unified Learning for Protein binding), a graph neural network (GNN) that jointly learns from a residue-level graph representation of the binding interface and...

Qingshu Zhao, Arjun Saha · ACS Physical Chemistry Au · 0 citations