Prioritization of combinatorial library screening
Number of patents in Portfolio can not be more than 2000
United States of America Patent
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Issued Date -
Feb 28, 2002
app pub date -
Apr 11, 2001
filing date -
Jun 15, 2000
priority date (Note) -
Abandoned
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Abstract
In a computational method of assessing a combinatorial library for complementarity to a target molecule, ligands from the library are first docked to the target molecule. The docking results are clustered using as a metric the rms deviation between the core of two docked molecules. The library is rated as to complementarity to the target molecule according to the relative number of ligands in the top cluster.
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