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Exhaustive Sampling of Docking Poses Reveals Binding Hypotheses for Propafenone Type Inhibitors of P-Glycoprotein.
Freya Klepsch
Peter Chiba
Gerhard F. Ecker
Published in:
PLoS Comput. Biol. (2011)
Keyphrases
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hiv protease
fine grained
coarse grained
neural network
sample size
hypothesis testing
databases
information retrieval
artificial intelligence
computer vision
parameter space
brute force
sampling algorithm