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@ARTICLE{Zuo:1009053,
      author       = {Zuo, Ke and Kranjc, Agata and Capelli, Riccardo and
                      Rossetti, Giulia and Nechushtai, Rachel and Carloni, Paolo},
      title        = {{M}etadynamics simulations of ligands binding to protein
                      surfaces: a novel tool for rational drug design},
      journal      = {Physical chemistry, chemical physics},
      volume       = {25},
      number       = {20},
      issn         = {1463-9076},
      address      = {Cambridge},
      publisher    = {RSC Publ.},
      reportid     = {FZJ-2023-02601},
      pages        = {13819 - 13824},
      year         = {2023},
      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          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524) / 5111 - Domain-Specific Simulation $\&$ Data
                      Life Cycle Labs (SDLs) and Research Groups (POF4-511)},
      pid          = {G:(DE-HGF)POF4-5241 / G:(DE-HGF)POF4-5111},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {37184538},
      UT           = {WOS:000986985000001},
      doi          = {10.1039/D3CP01388J},
      url          = {https://juser.fz-juelich.de/record/1009053},
}