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X-ray Crystallography: GPUs Used for New Drug Discovery Projects

This is the work being done on our GPU systems at Southwest Research Institute. Cool!

SwRI®-developed Rhodium Docking Capability software enhances virtual screening capabilities for pharmaceutical, biochemical development

“This software, available currently for SwRI client use, accelerates drug discovery by rapidly screening feasible binding sites and docking (computer simulated) poses that are not revealed in crystal structures.”

Southwest Research Institute

Courtesy of Southwest Research

Red Barn HPC Client in the News

Cornell engineers solve a biological mystery and boost artificial intelligence

From Supercomputing Online News:

By simulating 25,000 generations of evolution within supercomputers, Cornell University engineering and robotics researchers have discovered why biological networks tend to be organized as modules – a finding that will lead to a deeper understanding of the evolution of complexity. (Proceedings of the Royal Society, Jan. 30, 2013.)

The new insight also will help evolve artificial intelligence, so robot brains can acquire the grace and cunning of animals.

How cool is that?  Red Barn has enjoyed working with Cornell’s Computational Biology Services Unit, supplying servers that help power their fascinating research in bioinformatics and outreach projects to make HPC more accessible to the academic community with their BioHPC project.

New Tech: To Exascale and Beyond

Or: The One in Which We Have to Change Our Graphics again

Exascale Computing: New Possibilities for Climate Change Modeling

From Giga- to Tera- to Peta- to Exa-…supercomputing technology changes fast.

Check out this cool video from ASCR Discovery and the Krell Institute:

Climate modelers James J. Hack of Oak Ridge National Laboratory and Mark Taylor of Los Alamos National Laboratory discuss how increasing computing capabilities to the exascale will improve climate predictions. Scientists must figure out how to refine their models to make full use of all that power.

Read more about exascale computing technology in this feature from the DoE.

Red Barn HPC Client in the News

Researchers Develop Tool to Evaluate Genome Sequencing Method

From a New York University Press Release:

Advances in bio-technologies and computer software have helped make genome sequencing much more common than in the past. But still in question are both the accuracy of different sequencing methods and the best ways to evaluate these efforts. Now, computer scientists have devised a tool to better measure the validity of genome sequencing.

The work was conducted by researchers at New York University’s Courant Institute of Mathematical Sciences, NYU School of Medicine, Sweden’s KTH Royal Institute of Technology, and Cold Spring Harbor Laboratory.