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@ARTICLE{AlfonsoPrieto:862342,
      author       = {Alfonso-Prieto, Mercedes and Giorgetti, Alejandro and
                      Carloni, Paolo},
      title        = {{M}ultiscale simulations on human {F}rizzled and {T}aste2
                      {GPCR}s},
      journal      = {Current opinion in structural biology},
      volume       = {55},
      issn         = {0959-440X},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2019-02680},
      pages        = {8-16},
      year         = {2019},
      abstract     = {Recently, molecular dynamics simulations, from all atom and
                      coarse grained to hybrid methods bridging the two scales,
                      have provided exciting functional insights into class F
                      (Frizzled and Taste2) GPCRs (about 40 members in humans).
                      Findings include: (i) The activation of one member of the
                      Frizzled receptors (FZD4) involves a bending of
                      transmembrane helix TM7 far larger than that in class A
                      GPCRs. (ii) The affinity of an anticancer drug targeting
                      another member (Smoothened receptor) decreases in a specific
                      drug-resistant variant, because the mutation ultimately
                      disrupts the binding cavity and affects TM6. (iii) A novel
                      two-state recognition mechanism explains the very large
                      agonist diversity for at least one member of the Taste2
                      GPCRs, hTAS2R46.},
      cin          = {IAS-5 / INM-9},
      ddc          = {570},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {574 - Theory, modelling and simulation (POF3-574)},
      pid          = {G:(DE-HGF)POF3-574},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:30933747},
      UT           = {WOS:000482514400004},
      doi          = {10.1016/j.sbi.2019.02.009},
      url          = {https://juser.fz-juelich.de/record/862342},
}