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@ARTICLE{Rossetti:820521,
      author       = {Rossetti, Giulia and Musiani, F. and Abad, E. and
                      Dibenedetto, D. and Mouhib, H. and Fernandez, C. O. and
                      Carloni, P.},
      title        = {{C}onformational ensemble of human α-synuclein
                      physiological form predicted by molecular simulations},
      journal      = {Physical chemistry, chemical physics},
      volume       = {18},
      number       = {8},
      issn         = {1463-9084},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {FZJ-2016-05813},
      pages        = {5702 - 5706},
      year         = {2016},
      abstract     = {We perform here enhanced sampling simulations of
                      N-terminally acetylated human α-synuclein, an intrinsically
                      disordered protein involved in Parkinson's disease. The
                      calculations, consistent with experiments, suggest that the
                      post-translational modification leads to the formation of a
                      transient amphipathic α-helix. The latter, absent in the
                      non-physiological form, alters protein dynamics at the
                      N-terminal and intramolecular interactions.},
      cin          = {IAS-5 / INM-9 / JSC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121 /
                      I:(DE-Juel1)JSC-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511)},
      pid          = {G:(DE-HGF)POF3-511},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000371953000003},
      pubmed       = {pmid:26553504},
      doi          = {10.1039/C5CP04549E},
      url          = {https://juser.fz-juelich.de/record/820521},
}