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@ARTICLE{Albani:1020638,
      author       = {Albani, Simone and Costanzi, Elisa and Hoang, Gia Linh and
                      Kuzikov, Maria and Frings, Marcus and Ansari, Narjes and
                      Demitri, Nicola and Nguyen, Toan T. and Rizzi, Valerio and
                      Schulz, Jörg B. and Bolm, Carsten and Zaliani, Andrea and
                      Carloni, Paolo and Storici, Paola and Rossetti, Giulia},
      title        = {{U}nexpected {S}ingle-{L}igand {O}ccupancy and {N}egative
                      {C}ooperativity in the {SARS}-{C}o{V}-2 {M}ain {P}rotease},
      journal      = {Journal of chemical information and modeling},
      volume       = {64},
      number       = {3},
      issn         = {1549-9596},
      address      = {Washington, DC},
      publisher    = {American Chemical Society},
      reportid     = {FZJ-2024-00321},
      pages        = {892–904},
      year         = {2024},
      cin          = {IAS-5 / INM-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {899 - ohne Topic (POF4-899)},
      pid          = {G:(DE-HGF)POF4-899},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {38051605},
      UT           = {WOS:001158902700001},
      doi          = {10.1021/acs.jcim.3c01497},
      url          = {https://juser.fz-juelich.de/record/1020638},
}