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@ARTICLE{Stransky:606808,
      author       = {Stransky, Michal and E, Juncheng and Jurek, Zoltan and
                      Santra, Robin and Bean, Richard and Ziaja, Beata and
                      Mancuso, Adrian},
      title        = {{C}omputational study of diffraction image formation from
                      {XFEL} irradiated single ribosome molecule},
      journal      = {Scientific reports},
      volume       = {14},
      number       = {1},
      issn         = {2045-2322},
      address      = {[London]},
      publisher    = {Macmillan Publishers Limited, part of Springer Nature},
      reportid     = {PUBDB-2024-01638},
      pages        = {10617},
      year         = {2024},
      abstract     = {Single particle imaging at atomic resolution is perhaps one
                      of the most desired goals for ultrafast X-ray science with
                      X-rayFree-Electron Lasers. Such a capability would create
                      great opportunity within the biological sciences, as
                      high-resolutionstructural information of biosamples that may
                      not crystallize is essential for many research areas
                      therein. In this paper, we reporton a comprehensive
                      computational study of diffraction image formation during
                      single particle imaging of a macromolecule,containing over
                      one hundred thousand non-hydrogen atoms. For this study, we
                      use a dedicated simulation framework, SIMEX,available at the
                      European XFEL facility. Our results demonstrate the full
                      feasibility of computational single-particle imagingstudies
                      for biological samples of realistic size. This finding is
                      important as it shows that the SIMEX platform can be usedfor
                      simulations to inform relevant single-particle-imaging
                      experiments and help to establish optimal parameters for
                      theseexperiments. This will enable more focused and more
                      efficient single-particle-imaging experiments at XFEL
                      facilities, makingthe best use of the resource-intensive
                      XFEL operation.},
      cin          = {FS-CFEL-XM / FS-CFEL-3 / $XFEL_E1_SPB/SFX$},
      ddc          = {600},
      cid          = {I:(DE-H253)FS-CFEL-XM-20210408 /
                      I:(DE-H253)FS-CFEL-3-20120731 /
                      $I:(DE-H253)XFEL_E1_SPB_SFX-20210408$},
      pnm          = {631 - Matter – Dynamics, Mechanisms and Control
                      (POF4-631)},
      pid          = {G:(DE-HGF)POF4-631},
      experiment   = {EXP:(DE-H253)XFEL-SPB-20150101},
      typ          = {PUB:(DE-HGF)16},
      pubmed       = {pmid:38720133},
      UT           = {WOS:001216325300001},
      doi          = {10.1038/s41598-024-61314-w},
      url          = {https://bib-pubdb1.desy.de/record/606808},
}