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Fitting Low-Resolution Cryo-EM Maps of Proteins Using Constrained Geometric Simulations
- Article from:
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Biophysical Journal
- Article date:
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March 1, 2008
- Author:
- Jolley, Craig C; Wells, Stephen A; Fromme, Petra; Thorpe, M F
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Copyright informationCopyright Biophysical Society Mar 1, 2008. Provided by ProQuest LLC. (Hide copyright information)
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ABSTRACT
Recent experimental advances in producing density maps from cryo-electron microscopy (cryo-EM) have challenged theorists to develop improved techniques to provide structural models that are consistent with the data and that preserve all the local stereochemistry associated with the biomolecule. We develop a new technique that maintains the local geometry and chemistry at each stage of the fitting procedure. A geometric simulation is used to drive the structure from some appropriate starting point (a nearby experimental structure or a modeled structure) toward the experimental density, via a set of small incremental motions. Structural motifs such as α-helices can be held rigid ...
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