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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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Category

BioXFEL Publications

Published on

Type

journal-article

Author

Andrew E. Bruno and Amanda M. Ruby and Joseph R. Luft and Thomas D. Grant and Jayaraman Seetharaman and Gaetano T. Montelione and John F. Hunt and Edward H. Snell

Citation

Bruno, A.E. et al., 2014. Comparing Chemistry to Outcome: The Development of a Chemical Distance Metric, Coupled with Clustering and Hierarchal Visualization Applied to Macromolecular Crystallography I. Silman, ed. PLoS ONE, 9(6), p.e100782. Available at: http://dx.doi.org/10.1371/journal.pone.0100782.

DOI

http://dx.doi.org/10.1371/journal.pone.0100782

Funding

NSF-STC Biology with X-ray Lasers (NSF-1231306)