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@ARTICLE{Bertalan:972122,
      author       = {Bertalan, Éva and Bondar, Ana-Nicoleta},
      title        = {{G}raphs of protein-water hydrogen bond networks to dissect
                      structural movies of ion-transfer microbial rhodopsins},
      journal      = {Frontiers in Chemistry},
      volume       = {10},
      issn         = {2296-2646},
      address      = {Lausanne},
      publisher    = {Frontiers Media},
      reportid     = {FZJ-2023-01084},
      pages        = {1075648},
      year         = {2023},
      abstract     = {Microbial rhodopsins are membrane proteins that use the
                      energy absorbed by the covalently bound retinal chromophore
                      to initiate reaction cycles resulting in ion transport or
                      signal transduction. Thousands of distinct microbial
                      rhodopsins are known and, for many rhodopsins,
                      three-dimensional structures have been solved with
                      structural biology, including as entire sets of structures
                      solved with serial femtosecond crystallography. This sets
                      the stage for comprehensive studies of large datasets of
                      static protein structures to dissect structural elements
                      that provide functional specificity to the various microbial
                      rhodopsins. A challenge, however, is how to analyze
                      efficiently intra-molecular interactions based on large
                      datasets of static protein structures. Our perspective
                      discusses the usefulness of graph-based approaches to
                      dissect structural movies of microbial rhodopsins solved
                      with time-resolved crystallography.},
      cin          = {IAS-5 / INM-9},
      ddc          = {540},
      cid          = {I:(DE-Juel1)IAS-5-20120330 / I:(DE-Juel1)INM-9-20140121},
      pnm          = {5241 - Molecular Information Processing in Cellular Systems
                      (POF4-524)},
      pid          = {G:(DE-HGF)POF4-5241},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {36712989},
      UT           = {WOS:000922846700001},
      doi          = {10.3389/fchem.2022.1075648},
      url          = {https://juser.fz-juelich.de/record/972122},
}