Cryo-Electron Microscopy Modeling by the Molecular Dynamics Flexible Fitting Method

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...

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Main Authors: Chan, Kwok-Yan (Author) , Trabuco, Leonardo G. (Author) , Schreiner, Eduard (Author) , Schulten, Klaus (Author)
Format: Article (Journal)
Language:English
Published: 28 February 2012
In: Biopolymers
Year: 2012, Volume: 97, Issue: 9, Pages: 678-686
ISSN:1097-0282
DOI:10.1002/bip.22042
Online Access:Verlag, Volltext: http://dx.doi.org/10.1002/bip.22042
Verlag, Volltext: https://onlinelibrary.wiley.com/doi/abs/10.1002/bip.22042
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Author Notes:Kwok-Yan Chan, Leonardo G. Trabuco, Eduard Schreiner, Klaus Schulten

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520 |a 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. © 2012 Wiley Periodicals, Inc. Biopolymers 97: 678-686, 2012. 
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