Simulations done on the Kraken supercomputer (decommissioned earlier this year) illustrate the traits of hydrophobic ("water-fearing") cancer drugs and can pave the way for the design of more-efficient ways of delivering the drugs to the cells in the body.
The combination of experimentation and computer simulation is providing an understanding of the structure and dynamics of lignin, an abundant, renewable resource found in wood and plants that could improve lithium-ion batteries.
Supercomputing resources support research that is shedding some light on abnormal protein deposits associated with Parkinson's disease.
The XSEDE Industry Relations team has created a survey to better identify the training needs of industry with respect to computational modeling and high-performance computing skills.
The Darter supercomputer at the National Institute for Computational Sciences (NICS) is making it possible for a University of Tennessee, Knoxville, researcher to clarify phenomena and features of macromolecules that are of great importance in the development of sustainable energy technologies.