R. Babu

A hybrid CNN-GNN-XGB ensemble framework for prediction of mutation-induced protein-protein binding free-energy changes (ΔΔG) in protein engineering.

A hybrid ensemble framework integrating XGBoost, convolutional neural networks (CNN), and graph neural networks (GNN) trained on a curated SKEMPI v2.0 dataset provides a robust and practical tool for ΔΔG prediction with potential applications in protein engineering and rational mutation design.