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@ARTICLE{Maggi:857529,
      author       = {Maggi, Luca and Carloni, P. and Rossetti, G.},
      title        = {{V}ibrational {E}nergy in {P}roteins {C}orrelates with
                      {T}opology},
      journal      = {The journal of physical chemistry letters},
      volume       = {9},
      number       = {22},
      issn         = {1948-7185},
      address      = {Washington, DC},
      publisher    = {ACS},
      reportid     = {FZJ-2018-06520},
      pages        = {6393 - 6398},
      year         = {2018},
      abstract     = {The exchange of vibrational energy in proteins is crucial
                      for their function. Here, we establish a connection between
                      quantities related to it with geometry-based properties such
                      as the proteins’ residues coordination number. This
                      relation is proven by molecular simulation in a
                      neuro-pharmacologically relevant transmembrane receptor. The
                      connection demonstrated here paves the way to studies of
                      protein allostery and conformational changes based solely on
                      protein structure},
      cin          = {IAS-5 / INM-9 / JSC / JARA-HPC},
      ddc          = {530},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121 /
                      I:(DE-Juel1)JSC-20090406 / $I:(DE-82)080012_20140620$},
      pnm          = {571 - Connectivity and Activity (POF3-571) / 511 -
                      Computational Science and Mathematical Methods (POF3-511) /
                      Towards the design of allosteric ligands binding to the
                      human muscarinic receptor M2 $(jias59_20161101)$},
      pid          = {G:(DE-HGF)POF3-571 / G:(DE-HGF)POF3-511 /
                      $G:(DE-Juel1)jias59_20161101$},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30358398},
      UT           = {WOS:000451362100002},
      doi          = {10.1021/acs.jpclett.8b02380},
      url          = {https://juser.fz-juelich.de/record/857529},
}