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Cryo-electron microscopy modeling by the molecular dynamics flexible fitting method.

ABSTRACT: The increasing power and popularity of cryo-electron microscopy (cryo-EM) in structural biology brought about the development of so-called hybrid methods, which permit the interpretation of cryo-EM density maps beyond their nominal resolution in terms of atomic models. The Cryo-EM Modeling Challenge 2010 is the first community effort to bring together developers of hybrid methods as well as cryo-EM experimentalists. Participating in the challenge, the molecular dynamics flexible fitting (MDFF) method was applied to a number of cryo-EM density maps. The results are described here with special emphasis on the use of symmetry-based restraints to improve the quality of atomic models derived from density maps of symmetric complexes; on a comparison of the stereochemical quality of atomic models resulting from different hybrid methods; and on application of MDFF to electron crystallography data.

SUBMITTER: Chan KY

PROVIDER: S-EPMC3376020 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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Cryo-electron microscopy modeling by the molecular dynamics flexible fitting method.

Chan Kwok-Yan KY Trabuco Leonardo G LG Schreiner Eduard E Schulten Klaus K

Biopolymers 20120901 9

The increasing power and popularity of cryo-electron microscopy (cryo-EM) in structural biology brought about the development of so-called hybrid methods, which permit the interpretation of cryo-EM density maps beyond their nominal resolution in terms of atomic models. The Cryo-EM Modeling Challenge 2010 is the first community effort to bring together developers of hybrid methods as well as cryo-EM experimentalists. Participating in the challenge, the molecular dynamics flexible fitting (MDFF) m ...[more]

PMID: 22696404

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