Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping

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Frickenhaus, S. , Kannan, S. and Zacharias, M. (2009): Efficient evaluation of sampling quality of molecular dynamics simulations by clustering of dihedral torsion angles and Sammon mapping , Journal of Computational Chemistry, 30 (3), pp. 479-492 . doi: 10.1002/jcc.21076

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hdl:10013/epic.31756

DOI:

10.1002/jcc.21076

Official URL:

http://dx.doi.org/10.1002/jcc.21076

Contact Email:

Stephan.Frickenhaus@awi.de

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