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@ARTICLE{Strodel:134963,
      author       = {Strodel, Birgit and Khalili, Mey and Trygubenko, Semen and
                      Fejer, Szilard N. and Wales, David J. and Małolepsza,
                      Edyta},
      title        = {{S}ymmetrization of the {AMBER} and {CHARMM} force fields},
      journal      = {Journal of computational chemistry},
      volume       = {31},
      number       = {7},
      issn         = {1096-987X},
      address      = {New York, NY [u.a.]},
      publisher    = {Wiley},
      reportid     = {FZJ-2013-02978},
      pages        = {1402-1409},
      year         = {2010},
      abstract     = {The AMBER and CHARMM force fields are analyzed from the
                      viewpoint of the permutational symmetry of the potential for
                      feasible exchanges of identical atoms and chemical groups in
                      amino and nucleic acids. In each case, we propose schemes
                      for symmetrizing the potentials, which greatly facilitate
                      the bookkeeping associated with constructing kinetic
                      transition networks via geometry optimization.},
      cin          = {ICS-6},
      ddc          = {540},
      cid          = {I:(DE-Juel1)ICS-6-20110106},
      pnm          = {452 - Structural Biology (POF2-452)},
      pid          = {G:(DE-HGF)POF2-452},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000276918800007},
      doi          = {10.1002/jcc.21425},
      url          = {https://juser.fz-juelich.de/record/134963},
}