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ORCID"Efficient evaluation of sampling quality of molecular dynamics simulations ..."
Stephan Frickenhaus, Srinivasaraghavan Kannan, Martin Zacharias (2009)
- Stephan Frickenhaus
, Srinivasaraghavan Kannan, Martin Zacharias:
Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping. J. Comput. Chem. 30(3): 479-492 (2009)
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