title: Reweighted atomic densities to represent ensembles of NMR structures.
abstract: 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.
authors.affiliation: Computational Bioscience and Engineering Laboratory, Center for Information Technology, National Institutes of Health, Bethesda, MD 20892-5624, USA. Charles.Schwieters@nih.gov
authors.forename: Charles D
authors.initials: CD
authors.lastname: Schwieters
authors.forename: G Marius
authors.initials: GM
authors.lastname: Clore
mesh_terms: D000818:Animals; D004268:DNA-Binding Proteins / Q000737:chemistry*; D034641:Heterogeneous-Nuclear Ribonucleoprotein K / Q000737:chemistry; D006801:Humans; D008565:Membrane Proteins / Q000737:chemistry; D008958:Models, Molecular; D015394:Molecular Structure; D019906:Nuclear Magnetic Resonance, Biomolecular / Q000379:methods*; D011485:Protein Binding; D017434:Protein Structure, Tertiary
chemical_list: D004268:DNA-Binding Proteins; D034641:Heterogeneous-Nuclear Ribonucleoprotein K; D008565:Membrane Proteins; C093413:lamina-associated polypeptide 2