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Distilling the essential features of a protein surface for improving protein-ligand docking, scoring, and virtual screening.
Maria I. Zavodszky
Paul C. Sanschagrin
Rajesh S. Korde
Leslie A. Kuhn
Published in:
J. Comput. Aided Mol. Des. (2002)
Keyphrases
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virtual screening
drug discovery
essential features
chemical structures
similarity searching
high throughput
binding sites
protein structure
protein sequences
scoring function
chemical compounds
gene expression
statistical methods
early stage
dna sequences
protein protein interactions