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@ARTICLE{Leone:201280,
      author       = {Leone, Vanessa and Marinelli, Fabrizio and Carloni, Paolo
                      and Parrinello, Michele},
      title        = {{T}argeting biomolecular flexibility with metadynamics},
      journal      = {Current opinion in structural biology},
      volume       = {20},
      number       = {2},
      issn         = {0959-440X},
      address      = {Amsterdam [u.a.]},
      publisher    = {Elsevier},
      reportid     = {FZJ-2015-03585},
      pages        = {148 - 154},
      year         = {2010},
      abstract     = {Metadynamics calculations allow investigating structure,
                      plasticity, and energetics in a variety of biological
                      processes spanning from molecular docking to protein
                      folding. Recent theoretical developments have led to
                      applications to increasingly complex systems and processes
                      stepping up the biological relevance of the problem solved.
                      Here, after summarizing recent technical advances and
                      applications, we give a perspective of the method as a tool
                      for enzymology and for the prediction of NMR and other
                      spectroscopic data.},
      cin          = {GRS / IAS-5},
      ddc          = {570},
      cid          = {I:(DE-Juel1)GRS-20100316 / I:(DE-Juel1)IAS-5-20120330},
      pnm          = {899 - ohne Topic (POF2-899)},
      pid          = {G:(DE-HGF)POF2-899},
      typ          = {PUB:(DE-HGF)16},
      UT           = {WOS:000277751700003},
      pubmed       = {pmid:20171876},
      doi          = {10.1016/j.sbi.2010.01.011},
      url          = {https://juser.fz-juelich.de/record/201280},
}