AI identifies critical binding sites in cancer proteins

Researchers at Auburn University, in collaboration with the University of Basel and ETH Zurich, have developed a novel AI-based approach to identify binding sites on the PD-L1 protein, crucial for cancer treatment. This method combines molecular dynamics simulations and network analysis, enhancing predictions of drug interactions. Their findings, published in the Journal of the American Chemical Society, could improve immunotherapies and accelerate personalized cancer treatments.