NAMD

With the world’s first exascale supercomputer now fully open for scientific business, researchers can thank the early users who helped get the machine up to speed.

Frontier set a new …
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Uncovering the molecular structures of proteins can help scientists elucidate biological functions of proteins and search for drug candidates for diseases. To better understand proteins, scientists can use imaging techniques …
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To explore the inner workings of severe acute respiratory syndrome coronavirus 2, or SARS-CoV-2, researchers from the Department of Energy’s Oak Ridge National Laboratory developed a novel technique.

The team …
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A team led by Rommie Amaro of the University of California, San Diego (UC San Diego), has used the Summit supercomputer at the US Department of Energy’s (DOE’s) Oak Ridge …
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DNA replication is one of the most important processes in biology, responsible for ensuring that a cell’s genetic material is copied over to new cells efficiently during cell division. But …
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Using the Summit supercomputer at the US Department of Energy’s (DOE’s) Oak Ridge National Laboratory (ORNL), a team at the Arizona State University Biodesign Institute has confirmed details of a …
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A team led by Klaus Schulten of the University of Illinois at Urbana-Champaign used Titan to achieve a milestone in the field of biomolecular simulation, modeling a complete photosynthetic organelle of the bacteria Rhodobacter sphaeroides in atomic detail.
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Turning trees, grass, and other biomass into fuel for automobiles and airplanes is a costly and complex process. A team of biofuel researchers from ORNL are working to change that.
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