Computer Simulations Reveal New Information About Key Protein’s Role in Treatment of Heart, Kidney and Other Diseases

This illustration, based on simulations run on Expanse, shows the structure of the AT1 receptor in its inactive configuration (left) versus being activated by binding of the natural agonist AngII (top right) or membrane stretch (bottom right).

If you think of the human body as consisting of a team of organs that plays against a defense of diseases, then the AT1 receptor is a key player — especially when it comes to attacks on the heart and kidneys. To better understand this protein’s role, researchers from Oregon State University and the University of Vermont used Expanse at the San Diego Supercomputer Center (SDSC) at UC San Diego and Anton 2 at the Pittsburgh Supercomputing Center (PSC) to show the effect of physical stimuli on the structural properties of the AT1 receptor.

The post Computer Simulations Reveal New Information About Key Protein’s Role in Treatment of Heart, Kidney and Other Diseases appeared first on HPCwire.

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