PPISHES-an enhanced physicochemical approach for predicting protein interaction sites using graph neural networks.

ABSTRACT: Accurate prediction of protein interaction sites is crucial for understanding biological processes. Many existing methods capture structural, evolutionary, and sequence features; however, they overlook important physicochemical properties, limiting their performance. We propose Prediction of protein interaction sites based on solvent accessible surface area, hydrogen-bonding propensity, and electrostatic potential sites, an enhanced model that incorporates the three physicochemical features to improve site prediction for both obligate and non-obligate complexes. Feature ablation and other analyses identified key features to improve model performance. The model achieved up to 42.8% and 29.3% improvements in Area Under the Precision-Recall Curve for Test_315 and Test_71, respectively. The mo

SUBMITTER: Khanna D 

PROVIDER: S-EPMC12569455 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature