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Publications

  • Sampling large conformational transitions: adenylate kinase as a testing ground
  • Path similarity analysis: a method for quantifying macromolecular pathways
  • Structure of the SLC4 transporter Bor1p in an inward‐facing conformation
  • MDAnalysis: a Python package for the rapid analysis of molecular dynamics simulations
  • datreant: persistent, Pythonic trees for heterogeneous data

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