EViS: An Enhanced Virtual Screening Approach Based on Pocket-Ligand Similarity.

Wenyi Zhang Jing Huang

Published in: J. Chem. Inf. Model. (2022)

Keyphrases

virtual screening
drug discovery
massively parallel
chemical structures
similarity searching
high throughput
scoring function
binding sites
similarity measure
similarity queries
metric space
similarity search
fine grained
distance function
distance measure
parallel computing