Linking Molecular Glue Binding Kinetics to Functional Performance Through Quantitative Modeling
- Despite recent progress, molecular glue discovery remains highly challenging, partly due to limited quantitative understanding of how binding kinetics and ternary complex formation translate into cellular function
- We developed and validated a mechanistic modeling framework that links molecular glue binding kinetics to functional outcomes for both stabilizers and degraders across biochemical and cellular systems
- Representative examples illustrate how binding kinetics and key system level factors jointly inform rational molecular glue discovery, optimization, and decision making