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Extracting Conformational Ensembles of Small Molecules from Molecular Dynamics Simulations: Ampicillin as a Test Case.
Giuliano Malloci
Giovanni Serra
Andrea Bosin
Attilio Vittorio Vargiu
Published in:
Comput. (2016)
Keyphrases
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test cases
test case generation
software testing
test data
test suite
regression testing
test generation
test case selection
set of test cases
test set
decision trees
molecular dynamics simulations
number of test cases
test suite reduction
test data generation
object oriented
machine learning
protein folding