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@ARTICLE{Derevyanko:202144,
      author       = {Derevyanko, Georgy and Grudinin, Sergei},
      title        = {{H}ermite{F}it: fast-fitting atomic structures into a
                      low-resolution density map using three-dimensional
                      orthogonal {H}ermite functions.},
      journal      = {Acta crystallographica / D},
      volume       = {70},
      number       = {Pt 8},
      issn         = {1399-0047},
      address      = {Copenhagen},
      publisher    = {Munksgaard},
      reportid     = {FZJ-2015-04433},
      pages        = {2069 - 2084},
      year         = {2014},
      abstract     = {HermiteFit, a novel algorithm for fitting a protein
                      structure into a low-resolution electron-density map, is
                      presented. The algorithm accelerates the rotation of the
                      Fourier image of the electron density by using
                      three-dimensional orthogonal Hermite functions. As part of
                      the new method, an algorithm for the rotation of the density
                      in the Hermite basis and an algorithm for the conversion of
                      the expansion coefficients into the Fourier basis are
                      presented. HermiteFit was implemented using the
                      cross-correlation or the Laplacian-filtered
                      cross-correlation as the fitting criterion. It is
                      demonstrated that in the Hermite basis the Laplacian filter
                      has a particularly simple form. To assess the quality of
                      density encoding in the Hermite basis, an analytical way of
                      computing the crystallographic R factor is presented.
                      Finally, the algorithm is validated using two examples and
                      its efficiency is compared with two widely used fitting
                      methods, $ADP_EM$ and colores from the Situs package.
                      HermiteFit will be made available at
                      http://nano-d.inrialpes.fr/software/HermiteFit or upon
                      request from the authors.},
      keywords     = {Chaperonin 60 (NLM Chemicals) / Conotoxins (NLM Chemicals)},
      cin          = {ICS-6},
      ddc          = {570},
      cid          = {I:(DE-Juel1)ICS-6-20110106},
      pnm          = {452 - Structural Biology (POF2-452)},
      pid          = {G:(DE-HGF)POF2-452},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:25084327},
      UT           = {WOS:000340246000002},
      doi          = {10.1107/S1399004714011493},
      url          = {https://juser.fz-juelich.de/record/202144},
}