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Nat Methods. 2017 Aug;14(8):797-800. doi: 10.1038/nmeth.4340. Epub 2017 Jun 19.

RosettaES: a sampling strategy enabling automated interpretation of difficult cryo-EM maps.

Author information

1
Department of Biochemistry, University of Washington, Seattle, Washington, USA.
2
Department of Biochemistry and Molecular Genetics, University of Virginia, Charlottesville, Virginia, USA.

Abstract

Accurate atomic modeling of macromolecular structures into cryo-electron microscopy (cryo-EM) maps is a major challenge, as the moderate resolution makes accurate placement of atoms difficult. We present Rosetta enumerative sampling (RosettaES), an automated tool that uses a fragment-based sampling strategy for de novo model completion of macromolecular structures from cryo-EM density maps at 3-5-Å resolution. On a benchmark set of nine proteins, RosettaES was able to identify near-native conformations in 85% of segments. RosettaES was also used to determine models for three challenging macromolecular structures.

PMID:
28628127
PMCID:
PMC6009829
DOI:
10.1038/nmeth.4340
[Indexed for MEDLINE]
Free PMC Article

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