Journal of Medicinal Chemistry· 2012Q1
Directory of Useful Decoys, Enhanced (DUD-E): Better Ligands and Decoys for Better Benchmarking
- 2,430citations
- Q1SCImago
- 2012year
Short summary
The Directory of Useful Decoys, Enhanced (DUD-E) offers an improved benchmarking set for molecular docking, featuring 102 diverse protein targets and 22,886 clustered ligands from ChEMBL, each with 50 property-matched decoys from ZINC.
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Computational Theory and MathematicsComputer Science