Cross-Link Guided Molecular Modeling with ROSETTA

  title={Cross-Link Guided Molecular Modeling with ROSETTA},
  author={Abdullah Kahraman and Franz Herzog and Alexander Leitner and George Rosenberger and Ruedi Aebersold and Lars Malmstr{\"o}m},
  booktitle={PloS one},
Chemical cross-links identified by mass spectrometry generate distance restraints that reveal low-resolution structural information on proteins and protein complexes. The technology to reliably generate such data has become mature and robust enough to shift the focus to the question of how these distance restraints can be best integrated into molecular modeling calculations. Here, we introduce three workflows for incorporating distance restraints generated by chemical cross-linking and mass… CONTINUE READING
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