TCB Publications - Paper Request

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.

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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