Protein-Ligand Empirical Interaction Components for Virtual Screening.

Yuna Yan Weijun Wang Zhaoxi Sun John Z. H. Zhang Changge Ji

Published in: J. Chem. Inf. Model. (2017)

Keyphrases

virtual screening
drug discovery
chemical structures
similarity searching
high throughput
binding sites
scoring function
machine learning
similarity search
data structure
multi dimensional
graphical models
data collection
early stage
metric space
reverse engineering