To find a path around antibiotic resistance, a team working with the Intrepid supercomputer at Argonne National Laboratory is simulating molecular binding interactions to rapidly vet new infection-fighting candidates.
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October 2012
A timely death
Speed kills, as the slogan says, and in computers what it kills could be disease. Argonne National Laboratory researcher Andrew Binkowski’s calculations of protein structure help find ligands – smaller molecules – that attach to them, to deliver drugs that stop dangerous infections. But without supercomputers it could take months to model a single ligand, […]