Deutsch
 
Hilfe Datenschutzhinweis Impressum
  DetailsucheBrowse

Datensatz

DATENSATZ AKTIONENEXPORT
  Weighting of experimental evidence in macromolecular structure determination

Habeck, M., Rieping, W., & Nilges, M. (2006). Weighting of experimental evidence in macromolecular structure determination. Proceedings of the National Academy of Sciences of the United States of America, 103(6), 1756-1761. doi:10.1073/pnas.0506412103.

Item is

Externe Referenzen

einblenden:

Urheber

einblenden:
ausblenden:
 Urheber:
Habeck, M1, Autor           
Rieping, W, Autor
Nilges, M, Autor
Affiliations:
1Department Empirical Inference, Max Planck Institute for Biological Cybernetics, Max Planck Society, ou_1497795              

Inhalt

einblenden:
ausblenden:
Schlagwörter: -
 Zusammenfassung: The determination of macromolecular structures requires weighting of experimental evidence relative to prior physical information. Although it can critically affect the quality of the calculated structures, experimental data are routinely weighted on an empirical basis. At present, cross-validation is the most rigorous method to determine the best weight. We describe a general method to adaptively weight experimental data in the course of structure calculation. It is further shown that the necessity to define weights for the data can be completely alleviated. We demonstrate the method on a structure calculation from NMR data and find that the resulting structures are optimal in terms of accuracy and structural quality. Our method is devoid of the bias imposed by an empirical choice of the weight and has some advantages over estimating the weight by cross-validation.

Details

einblenden:
ausblenden:
Sprache(n):
 Datum: 2006-02
 Publikationsstatus: Erschienen
 Seiten: -
 Ort, Verlag, Ausgabe: -
 Inhaltsverzeichnis: -
 Art der Begutachtung: -
 Identifikatoren: URI: http://www.pnas.org/cgi/reprint/103/6/1756
DOI: 10.1073/pnas.0506412103
BibTex Citekey: 3861
 Art des Abschluß: -

Veranstaltung

einblenden:

Entscheidung

einblenden:

Projektinformation

einblenden:

Quelle 1

einblenden:
ausblenden:
Titel: Proceedings of the National Academy of Sciences of the United States of America
Genre der Quelle: Zeitschrift
 Urheber:
Affiliations:
Ort, Verlag, Ausgabe: -
Seiten: - Band / Heft: 103 (6) Artikelnummer: - Start- / Endseite: 1756 - 1761 Identifikator: -