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Functional Rotation of the Transporter AcrB: Insights into Drug Extrusion from Simulations.
Robert Schulz
Attilio Vittorio Vargiu
Francesca Collu
Ulrich Kleinekathöfer
Paolo Ruggerone
Published in:
PLoS Comput. Biol. (2010)
Keyphrases
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numerical simulations
drug discovery
functional properties
data sets
genetic algorithm
case study
feature extraction
rotation invariant
material handling
molecular dynamics