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Fragment-Based Drug Discovery Using a Multidomain, Parallel MD-MM/PBSA Screening Protocol.
Tian Zhu
Hyun Lee
Hao Lei
Christopher Jones
Kavankumar Patel
Michael E. Johnson
Kirk E. Hevener
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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drug discovery
chemical compounds
pharmaceutical industry
early stage
systems biology
biological systems
virtual screening
data mining
knowledge discovery
scientific data
discovery process
databases
machine learning