Comprehensive Analysis of Peak Counts and Peak Proportions in NMR Spectra of C60Rn(n = 0–30)
نویسندگان
چکیده
منابع مشابه
Bayesian Peak Picking for NMR Spectra
Protein structure determination is a very important topic in structural genomics, which helps people to understand varieties of biological functions such as protein-protein interactions, protein-DNA interactions and so on. Nowadays, nuclear magnetic resonance (NMR) has often been used to determine the three-dimensional structures of protein in vivo. This study aims to automate the peak picking ...
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A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel function for local noise level calculation, the use of symmetry considerations, and the use of lineshapes extracted from well-separated peaks for re...
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MOTIVATION Picking peaks from experimental NMR spectra is a key unsolved problem for automated NMR protein structure determination. Such a process is a prerequisite for resonance assignment, nuclear overhauser enhancement (NOE) distance restraint assignment, and structure calculation tasks. Manual or semi-automatic peak picking, which is currently the prominent way used in NMR labs, is tedious,...
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ژورنال
عنوان ژورنال: Journal of Computer Chemistry, Japan
سال: 2006
ISSN: 1347-1767,1347-3824
DOI: 10.2477/jccj.5.185