Protein-Ligand-Binding

Geometric graph learning with extended atom-types features for protein-ligand binding affinity prediction

Introduces sybylGGL-Score and ecifGGL-Score, graph-based learning models integrating extensive atom types for state-of-the-art protein-ligand binding affinity prediction.

Masud Rana Duc Nguyen

EISA-Score: Element Interactive Surface Area Score for Protein–Ligand Binding Affinity Prediction

This paper introduces EISA-Score, a novel scoring function that uses element interactive surface area representations to significantly improve protein-ligand binding affinity predictions.

Masud Rana Duc Nguyen