An iterative refinement model for PROTAC-induced structure prediction

This work was accepted as an oral presentation at the Generative and Experimental Perspectives for Biomolecular Design workshop at ICLR 2024. For more information, please check out our paper on arXiv. Proteins are molecular machines that carry out many of the functions required for the human body to thrive. When proteins malfunction or over-accumulate, diseases may arise. Traditional small molecule drugs are designed to inhibit these disease-causing proteins by binding to them like keys (drug) fitting into locks (protein).