Journal
BIOPOLYMERS
Volume 97, Issue 9, Pages 678-686Publisher
WILEY
DOI: 10.1002/bip.22042
Keywords
cryo-electron microscopy; molecular dynamics flexible fitting (MDFF); Cryo-EM Modeling Challenge 2010
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Funding
- National Institutes of Health [P41-RR005969]
- National Science Foundation [PHY0822613]
- European Molecular Biology Organization and Humboldt Foundation
- Texas Advanced Computing Center (TACC) at University of Texas at Austin [MCA93S028]
- National Science Foundation [Extreme Science and Engineering Discovery Environment (XSEDE)] [OCI-1053575]
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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. (c) 2012 Wiley Periodicals, Inc. Biopolymers 97: 678686, 2012.
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