Decoupling Topology from Geometry: Detecting Large-Scale Conformational Changes via Conformational Scanning
This paper introduces a high-throughput "conformational scanning" method that decouples topological connectivity from geometric rigidity using a coarse-grained secondary structure representation to systematically mine the PDB for proteins sharing identical topology but exhibiting large-scale conformational changes, thereby creating a critical ground-truth dataset for bridging static structural data with dynamic protein function.