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Flexible matching of test ligands to a 3D pharmacophore using a molecular superposition force field: Comparison of predicted and experimental conformations of inhibitors of three enzymes.

Colin McMartinRegine S. Bohacek
Published in: J. Comput. Aided Mol. Des. (1995)
Keyphrases
  • force field
  • active contour model
  • drug discovery
  • active contours
  • matching algorithm
  • deformable models