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@ARTICLE{Capelli:865794,
      author       = {Capelli, Riccardo and Carloni, Paolo and Camilloni, Carlo
                      and Bonomi, Massimiliano and Tribello, Gareth and Bussi,
                      Giovanni},
      title        = {{P}romoting transparency and reproducibility in enhanced
                      molecular simulations},
      journal      = {Nature methods},
      volume       = {16},
      number       = {8},
      issn         = {1548-7105},
      address      = {London [u.a.]},
      publisher    = {Nature Publishing Group},
      reportid     = {FZJ-2019-05101},
      pages        = {670 - 673},
      year         = {2019},
      abstract     = {The PLUMED consortium unifies developers and contributors
                      to PLUMED, an open-source library for enhanced-sampling,
                      free-energy calculations and the analysis of molecular
                      dynamics simulations. Here, we outline our efforts to
                      promote transparency and reproducibility by disseminating
                      protocols for enhanced-sampling molecular simulations.},
      cin          = {IAS-5 / INM-9},
      ddc          = {610},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {89574 - Theory, modelling and simulation (POF2-89574)},
      pid          = {G:(DE-HGF)POF2-89574},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:31363226},
      UT           = {WOS:000477857700006},
      doi          = {10.1038/s41592-019-0506-8},
      url          = {https://juser.fz-juelich.de/record/865794},
}