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Comparing Chemistry to Outcome: The Development of a Chemical Distance Metric, Coupled with Clustering and Hierarchal Visualization Applied to Macromolecular Crystallography

By Andrew E. Bruno, Amanda M. Ruby, Joseph Luft1, Thomas D. Grant, Jayaraman Seetharaman, Gaetano T. Montelione, John F. Hunt, Edward Snell2

1. Hauptman-Woodward Medical Research Institute 2. Hauptman-Woodward Medical Research Institute - SUNY Buffalo

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