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Modeling Ligands into Maps Derived from Electron Cryomicroscopy
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Automated ligand fitting by core-fragment fitting and extension into density

Thomas C Terwilliger1, Herbert Klei, Paul D Adams

  • 1Los Alamos National Laboratory, Mailstop M888, Los Alamos, NM 87545, USA. terwilliger@lanl.gov

Acta Crystallographica. Section D, Biological Crystallography
|July 21, 2006
PubMed
Summary

A new method efficiently fits ligands into electron-density maps by first placing a core fragment and then extending the rest. This procedure successfully positioned over half of tested ligands within 2 Å of their original coordinates.

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