Discovery of molecular glues by modeling ternary complex conformational ensembles and thermodynamic stability
Jesús A. Izaguirre, Zachary A. McDargh, Fabio Trovato…·Huafeng Xu
This paper introduces GlueMap, a computational platform for discovering molecular glues by integrating structural modeling and machine learning, showing improved performance over existing models in predicting degradation potency and identifying new degraders.