Luoshu Convex-Hull Concavity Combined with Trigram Transition Energy for Drug Binding Pocket Prediction

An enhanced framework combining Luoshu Trigram Transition Energy (LTE) with 3D Convex-Hull Concavity (CHC) for drug binding pocket prediction. CHC constructs a 3D convex hull from top-LTE residues and measures burial depth. LTE+CHC achieves meta-analytic AUC=0.720 (p<1e-10) on seven rigid-pocket proteins vs AUC=0.668 for LTE alone (+0.052). EGFR: 0.660->0.828; Trypsin: 0.601->0.753; CDK2: 0.536->0.684. 6/7 proteins AUC>0.65 (p<0.05). No MD simulation, docking, or evolutionary data required. O(n^2) cost. Extends doi:10.5281/zenodo.20072615