Shape based methods: Difference between revisions
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Shape based methods of ligand discovery are a [[ligand based]] method. This approach samples the three dimensional structure of the ligand and attempts to match it to ligands that can adopt the same shape, and often, the same electrostatic profile. | Shape based methods of ligand discovery are a [[ligand based]] method. This approach samples the three dimensional structure of the ligand and attempts to match it to ligands that can adopt the same shape, and often, the same electrostatic profile. | ||
Examples of such programs are ROCS / EON from OpenEye. Mimic from Doug Rohrer (ex Upjohn). | Examples of such programs are [[ROCS]] / EON from OpenEye. Mimic from Doug Rohrer (ex Upjohn). | ||
-- John Irwin | -- John Irwin | ||
[[Category:Jargon]] | [[Category:Jargon]] | ||
Latest revision as of 20:32, 8 October 2012
Shape based methods of ligand discovery are a ligand based method. This approach samples the three dimensional structure of the ligand and attempts to match it to ligands that can adopt the same shape, and often, the same electrostatic profile.
Examples of such programs are ROCS / EON from OpenEye. Mimic from Doug Rohrer (ex Upjohn).
-- John Irwin