RigFit: a new approach to superimposing ligand molecules.

Christian Lemmen Claus Hiller Thomas Lengauer

Published in: German Conference on Bioinformatics (1997)

Keyphrases

virtual screening
drug discovery
high throughput
similarity searching
drug design
chemical compounds
molecular structure
machine learning
binding sites
scoring function
data sets
databases
case study
three dimensional
bayesian networks