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Researchers from the University of Connecticut used Frontera to model the movement of nanomedicines through the human vascular system. They found that nanoworms can move through red blood cell traffic better than spherical nanoparticles.

Previous computational research by the group has shown how changes to the shape, size, and make-up of nanoparticles can improve the chances of a drug reaching its specific target.

The team's computational framework, combining fluid dynamics and molecular dynamics, can be used for other engineering applications, such as additive manufacturing, chemical processing, and underwater robotics.

The team is using the results of their simulations on Frontera to train a machine learning model that can speed up the design of new nano-drugs for patient-specific treatments.


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