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Chemical Superposition Alignment

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  • Rigid substructure superimpose.
  • Flexible substructure superimpose.
  • Atomic Property Field (APF) superposition. APF is a 3D pharmacophoric potential implemented on a grid. (See Totrov, Chem Biol Drug Des 2008)
  • Multiple APF superposition.
  • Superposition translated to selected atoms.
  • Tethered superposition.

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