Christina G. Fragel

On the Structural Precision Required for Ligand-Specific Elastic Network Dynamics of AI Co-Folded GPCR Structures

Background/Objectives: AI-based protein–ligand co-folding methods such as Boltz-2 are able to reproduce experimentally determined ligand binding poses at G protein-coupled receptors (GPCRs) with increasing accuracy and precision. As these models advance, they raise several natural questions: assuming the correct placem...