Michael J. Roy

DesignMaster improves PROTAC design by incorporating linker length and physicochemical constraints through a diffusion framework, achieving better validity and recovery than existing methods.

This study shows that frustration in the SMARCA2-VHL protein-protein interface correlates with PROTAC cooperativity, offering a framework for structure-based PROTAC design.

DegradeMaster predicts PROTAC-targeted protein degradation using a semi-supervised E(3)-equivariant graph neural network, achieving improved accuracy over existing methods.