New Preprint on Uncertainty Quantification for Molecular Docking
Our new preprint, ConfDock, is online. Led by Haochang Hao with Nour, and in collaboration with Lu Cheng’s group at the University of Illinois Chicago, it introduces a conformal prediction framework that puts atom-specific error bars on molecular docking poses.
Yihang Wang
Professor of Chemistry
My research focuses on understanding the complex behavior of biomolecular systems.