: A Virtual Screening Pipeline Based on Template Pocket and Ligand Similarity.

Ambrish Roy Bharath Srinivasan Jeffrey Skolnick

Published in: J. Chem. Inf. Model. (2015)

Keyphrases

virtual screening
drug discovery
similarity searching
chemical structures
high throughput
binding sites
similarity search
similarity measure
distance measure
databases
similarity queries
scoring function
distance function
metric space
chemical compounds
access methods
range queries
gene expression
database systems