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Chemical shift optimization and ensemble averaging in protein NMR spectroscopy

Baskaran, Kumaran (2011) Chemical shift optimization and ensemble averaging in protein NMR spectroscopy. PhD, Universität Regensburg.

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Date of publication of this fulltext: 04 Mar 2011 13:42

Abstract (English)

A problem often encountered in multidimensional NMR spectroscopy is that an existing chemical shift list of a protein has to be used to assign an experimental spectrum but does not fit sufficiently well for a safe assignment. A similar problem occurs when temperature or pressure series of n-dimensional spectra are to be evaluated automatically. Two slightly different algorithms, AUREMOL-SHIFTOPT1 ...


Translation of the abstract (German)

Ein oft auftretendes Problem in der Multi-dimensionalen NMR-Spektroskopie ist, dass die eine Liste der chemischen Verschiebungen eines Proteins einem experimentales Spektrum zuzuordnen ist. Jedoch passt diese Shiftliste nicht ausreichend zum Spektrum, um diese sicher zuzuordnen. Ein ähnliches Problem tritt auf, wenn Temperatur- oder Druckreihen von n-dimensionalen Spektren automatisch ausgewertet ...


Export bibliographical data

Item type:Thesis of the University of Regensburg (PhD)
Date:4 March 2011
Referee:Prof. Dr. Dr. Hans Robert Kalbitzer
Date of exam:24 February 2010
Institutions:Biology, Preclinical Medicine > Institut für Biophysik und physikalische Biochemie > Prof. Dr. Dr. Hans Robert Kalbitzer
Interdisciplinary Subject Network:Not selected
Keywords:Chemical shift, NMR spectroscopy, optimization, shift prediction, probability, statistics, conformers, BMBR, AUREMOL, chemische Verschiebung, NMR-Spektroskopie, Optimierung, Verschiebungs-Vorhersage, Wahrscheinlichkeit, Statistik, Konformationen
Dewey Decimal Classification:500 Science > 570 Life sciences
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Yes
Item ID:14305
Owner only: item control page


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