Reweighted atomic densities to represent ensembles of NMR structures

J Biomol NMR. 2002 Jul;23(3):221-5. doi: 10.1023/a:1019875223132.


A reweighted atomic probability density is introduced as a means of representing ensembles of NMR structures in a simple, concise and informative manner. This density is shown to give a better visual representation of molecular structure information than an unweighted density, and should provide a useful interactive graphics tool during the course of iterative NMR structure refinement. The approach is illustrated using several examples.

MeSH terms

  • Animals
  • DNA-Binding Proteins / chemistry*
  • Heterogeneous-Nuclear Ribonucleoprotein K / chemistry
  • Humans
  • Membrane Proteins / chemistry
  • Models, Molecular*
  • Molecular Structure
  • Nuclear Magnetic Resonance, Biomolecular / methods*
  • Protein Binding
  • Protein Structure, Tertiary


  • DNA-Binding Proteins
  • Heterogeneous-Nuclear Ribonucleoprotein K
  • Membrane Proteins
  • lamina-associated polypeptide 2