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    • Anomalous dispersion analysis of inhibitor flexibility : a case study of the kinase inhibitor H-89 

      Pflug, Alexander; Johnson, Kenneth; Engh, Richard Alan (Journal article; Tidsskriftartikkel; Peer reviewed, 2012)
      With its ability to show the interactions between drug-target proteins and small-molecule ligands, X-ray crystallography is an essential tool in drug-discovery programmes. However, its usefulness can be limited by crystallization artifacts or by the data resolution, and in particular when assumptions of unimodal binding (and isotropic motion) do not apply. Discrepancies between the modelled crystal ...