Kwok-Yan Chan, Leonardo G. Trabuco, Eduard Schreiner, and Klaus Schulten.
Cryo-electron microscopy modeling by the molecular dynamics flexible
fitting method.
Biopolymers, 97:678-686, 2012.
(PMC: 3376020)
CHAN2012
The increasing power and popularity of cryo-electron (cryo-EM) microscopy in structural
biology is 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.
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