Raw data for: Protein hydration and druggability

This dataset contains LEW fractions (low-entropy water molecules with 0, 1, or 2 hydrogen bonds) for 65 human enzymes. Data are provided for three surface types: exposed surface, active sites, and inactive cavities. File structure: - Sheet "DATA": PDB_ID, LEW fraction (exposed surface), LEW fraction (active site), LEW fraction (inactive cavities). - Sheet "ROC-analysis": ROC analysis with sensitivity, specificity, and Youden J-index calculated for each cutoff threshold. The optimal cutoff of 0.405 corresponds to the maximum Youden J-index.