In this video from the Nvidia Theater at SC14, John Stone from the University of Illinois at Urbana-Champaign presents: GPU-Accelerated Analysis of Large Biomolecular Complexes.
State-of-the-art GPU-accelerated petascale computers enable molecular dynamics simulations of large viruses, light harvesting organelles, and synthetic nanodevices. Petascale molecular dynamics simulations also pose formidable computational challenges in preparing, analyzing, and visualizing the structures and their dynamics. GPUs provide massive parallelism and high bandwidth memory systems that are ideally suited to these tasks. This presentation will highlight the use of GPU ray tracing for visualizing the process of photosynthesis, and GPU accelerated analysis of results of hybrid structure determination methods that combine data from cryo-electron microscopy and X-ray crystallography atom molecular dynamics with all- simulations.”
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