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Diverse classes of proteins function through large-scale conformational changes and various sophisticated computational algorithms have been proposed to enhance sampling of these macromolecular transition paths. Because such paths are curves

Diverse classes of proteins function through large-scale conformational changes and various sophisticated computational algorithms have been proposed to enhance sampling of these macromolecular transition paths. Because such paths are curves in a high-dimensional space, it has been difficult to quantitatively compare multiple paths, a necessary prerequisite to, for instance, assess the quality of different algorithms.

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    Date Created
    • 2015-10-21
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  • Text
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    Identifier
    • Digital object identifier: 10.1371/journal.pcbi.1004568
    • Identifier Type
      International standard serial number
      Identifier Value
      1553-734X
    • Identifier Type
      International standard serial number
      Identifier Value
      1553-7358

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    Seyler, S. L., Kumar, A., Thorpe, M. F., & Beckstein, O. (2015). Path Similarity Analysis: A Method for Quantifying Macromolecular Pathways. PLOS Computational Biology, 11(10). doi:10.1371/journal.pcbi.1004568

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