The Advanced Computing Center for Research and Education (ACCRE) is used by investigators in a wide and growing spectrum of research disciplines. Researchers in such diverse fields as biophysics, biostatistics, human genetics, manufacturing supply networks, nanoscience, neuroscience, microelectronics, particle physics, proteomics, and structural biology are using ACCRE resources.
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Research Spotlight: Can we understand the dynamics and structure of the
molecules of life?
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The ability to search the conformational space available to
biomacromolecules such as proteins, RNA and DNA by computational methods
such as molecular dynamics simulations is invaluable for the
determination of three-dimensional structures. Simplified versions
of the full searches are currently used for the refinement of
high-resolution structures derived from NMR and X-ray crystallographic
data, largely because of the insufficiency of the available compute
power.
