Credit: Provided by Vikram Mulligan, University of Washington
Scientists at the University of Washington are using Mira at the Argonne Leadership Computing Facility to optimize software to virtually design unique, artificial peptides. Peptides are smaller than proteins but larger than small molecules used in medical drugs today and could enable future medicines with few side effects. The three peptides shown in the shaded box are currently being experimentally validated by the Baker Lab. For comparison, the peptides are shown with the small molecule that is the active agent in Aspirin and a large protein that is used as an anti-HIV antibody.