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@ARTICLE{SiChaib:884703,
      author       = {Si Chaib, Zeineb and Marchetto, Alessandro and Dishnica,
                      Klevia and Carloni, Paolo and Giorgetti, Alejandro and
                      Rossetti, Giulia},
      title        = {{I}mpact of {C}holesterol on the {S}tability of {M}onomeric
                      and {D}imeric {F}orms of the {T}ranslocator {P}rotein
                      {TSPO}: {A} {M}olecular {S}imulation {S}tudy},
      journal      = {Molecules},
      volume       = {25},
      number       = {18},
      issn         = {1420-3049},
      address      = {Basel},
      publisher    = {MDPI70206},
      reportid     = {FZJ-2020-03204},
      pages        = {4299 -},
      year         = {2020},
      abstract     = {The translocator protein (TSPO) is a transmembrane protein
                      present across the three domains of life. Its functional
                      quaternary structure consists of one or more subunits. In
                      mice, the dimer-to-monomer equilibrium is shifted in vitro
                      towards the monomer by adding cholesterol, a natural
                      component of mammalian membranes. Here, we present a
                      coarse-grained molecular dynamics study on the mouse protein
                      in the presence of a physiological content and of an excess
                      of cholesterol. The latter turns out to weaken the
                      interfaces of the dimer by clusterizing mostly at the
                      inter-monomeric space and pushing the contact residues
                      apart. It also increases the compactness and the rigidity of
                      the monomer. These two factors might play a role for the
                      experimentally observed incremented stability of the
                      monomeric form with increased content of cholesterol.
                      Comparison with simulations on bacterial proteins suggests
                      that the effect of cholesterol is much less pronounced for
                      the latter than for the mouse protein},
      cin          = {IAS-5 / INM-11 / INM-9 / JSC},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-11-20170113 /
                      I:(DE-Juel1)INM-9-20140121 / I:(DE-Juel1)JSC-20090406},
      pnm          = {511 - Computational Science and Mathematical Methods
                      (POF3-511) / 574 - Theory, modelling and simulation
                      (POF3-574) / PhD no Grant - Doktorand ohne besondere
                      Förderung (PHD-NO-GRANT-20170405)},
      pid          = {G:(DE-HGF)POF3-511 / G:(DE-HGF)POF3-574 /
                      G:(DE-Juel1)PHD-NO-GRANT-20170405},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:32961709},
      UT           = {WOS:000580248700001},
      doi          = {10.3390/molecules25184299},
      url          = {https://juser.fz-juelich.de/record/884703},
}