Researchers in the Nanoscience Center at the University of Jyväskylä, Finland, have used machine learning and supercomputer simulations to investigate how tiny gold nanoparticles bind to blood proteins. The studies discovered that favorable nanoparticle-protein interactions can be predicted from machine learning models that are trained from atom-scale molecular dynamics simulations. The new methodology opens ways to simulate the efficacy of gold nanoparticles as targeted drug delivery systems in precision nanomedicine.