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Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping.
Stephan Frickenhaus
Srinivasaraghavan Kannan
Martin Zacharias
Published in:
J. Comput. Chem. (2009)
Keyphrases
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k means
clustering algorithm
database
clustering method
fine grained
cost effective
databases
fault tolerant