Auditable Algebraic Counting Field for Cryptic-Pocket Detection from Apo Structures

Excerpt

arXiv:2610.00988v1 Announce Type: new Abstract: Cryptic ligand-binding pockets are not apparent in experimentally determined apo structures, making them difficult to identify from unbound receptor geometry. A complementary challenge is to make the structural measurements and learned evidence behind each prediction directly inspectable. We introduce a supervised algebraic counting field (ACF) for predicting cryptic-pocket residues from apo structures. ACF compiles explicit geometric, physicochemi