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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