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Efficient Virtual Screening Using Multiple Protein Conformations Described as Negative Images of the Ligand-Binding Site.
Salla I. Virtanen
Olli T. Pentikäinen
Published in:
J. Chem. Inf. Model. (2010)
Keyphrases
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virtual screening
drug discovery
similarity searching
binding sites
scoring function
high throughput
similarity search
protein structure
content based retrieval
transcription factors
similarity measure
data analysis
molecular biology
similarity queries
protein structure prediction