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Virtual Screening Using Protein-Ligand Docking: Avoiding Artificial Enrichment.
Marcel L. Verdonk
Valerio Berdini
Michael J. Hartshorn
Wijnand T. M. Mooij
Christopher W. Murray
Richard D. Taylor
Paul Watson
Published in:
J. Chem. Inf. Model. (2004)
Keyphrases
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virtual screening
ligand docking
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
real world
similarity search
chemical compounds
metric space
data sets
data structure
knowledge discovery
systems biology