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Video: Molecular Simulation at the Mesoscale

Dr. Rommie E. Amaro gave this talk at SC17. “We are developing new capabilities for multi-scale dynamic simulations that cross spatial scales from the molecular (angstrom) to cellular ultrastructure (near micron), and temporal scales from the picoseconds of macromolecular dynamics to the physiologically important time scales of organelles and cells (milliseconds to seconds).”

Supercomputing Drug Discovery to Combat Heart Disease

Using a unique computational approach to rapidly sample proteins in their natural state of gyrating, bobbing, and weaving, a research team from UC San Diego and Monash University in Australia has identified promising drug leads that may selectively combat heart disease, from arrhythmias to cardiac failure.