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Architectures, queries, data stores, and interfaces for proteins and drug molecules

  • US 20060052943A1
  • Filed: 07/28/2005
  • Published: 03/09/2006
  • Est. Priority Date: 07/28/2004
  • Status: Abandoned Application
First Claim
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1. A method, comprising:

  • acquiring site coordinates and neighboring information for a receptor site of a given protein or a ligand;

    determining principal curvatures and directions for each coordinate point of the receptor site or the ligand;

    determining maximum span for the receptor site or the ligand;

    iterating for each remaining site coordinate of the receptor site or the ligand; and

    indexing the given protein, the site coordinates, the neighboring information, the points, the principal curvatures and directions, the maximum span, and the receptor site or the ligand in a data store.

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