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Directory of useful decoys, enhanced (DUD-E): Better ligands and decoys for better benchmarking

  • Author(s): Shoichet, Brian
  • Mysinger, MM
  • Carchia, M
  • Irwin, JJ
  • Shoichet, BK
  • et al.

Published Web Location

http://europepmc.org/articles/PMC3405771?pdf=render
No data is associated with this publication.
Abstract

A key metric to assess molecular docking remains ligand enrichment against challenging decoys. Whereas the directory of useful decoys (DUD) has been widely used, clear areas for optimization have emerged. Here we describe an improved benchmarking set that

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