Automatic and accurate ligand structure determination guided by cryo-electron microscopy maps

HIGHLIGHTS

  • who: Andrew Muenks from the (UNIVERSITY) have published the research: Automatic and accurate ligand structure determination guided by cryo-electron microscopy maps, in the Journal: (JOURNAL) of 15/02/2023
  • what: In this manuscript, the authors develop EMERALD, a tool for automatically determining ligand structures guided by medium-resolution cryoEM density. The authors show this method is robust at predicting ligands along with surrounding side chains in maps as low as 4.5 u00c5 local resolution. Combining this with a measure of placement confidence and running on all protein/ligand structures in the EMDB, the . . .

     

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