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High-throughput structure-based pharmacophore modelling as a basis for successful parallel virtual screening.
Theodora M. Steindl
Daniela Schuster
Gerhard Wolber
Christian Laggner
Thierry Langer
Published in:
J. Comput. Aided Mol. Des. (2006)
Keyphrases
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high throughput
virtual screening
drug discovery
systems biology
biological data
microarray
binding sites
mass spectrometry
protein protein interactions
similarity searching
data acquisition
gene expression
structural properties
database
early stage
discovery process
bayesian networks
data mining