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» NITPICK: peak identification for mass spectrometry data
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BMCBI
2010
112views more  BMCBI 2010»
13 years 8 months ago
In silico fragmentation for computer assisted identification of metabolite mass spectra
Background: Mass spectrometry has become the analytical method of choice in metabolomics research. The identification of unknown compounds is the main bottleneck. In addition to t...
Sebastian Wolf, Stephan Schmidt, Matthias Mül...
BMCBI
2010
117views more  BMCBI 2010»
13 years 8 months ago
Better score function for peptide identification with ETD MS/MS spectra
Background: Tandem mass spectrometry (MS/MS) has become the primary way for protein identification in proteomics. A good score function for measuring the match quality between a p...
Xiaowen Liu, Baozhen Shan, Lei Xin, Bin Ma
BMCBI
2008
115views more  BMCBI 2008»
13 years 8 months ago
PARPST: a PARallel algorithm to find peptide sequence tags
Background: Protein identification is one of the most challenging problems in proteomics. Tandem mass spectrometry provides an important tool to handle the protein identification ...
Sara Brunetti, Elena Lodi, Elisa Mori, Maria Stell...
TCBB
2008
126views more  TCBB 2008»
13 years 8 months ago
Combinatorial Approaches for Mass Spectra Recalibration
Mass spectrometry has become one of the most popular analysis techniques in Proteomics and Systems Biology. With the creation of larger data sets, the automated recalibration of ma...
Sebastian Böcker, Veli Mäkinen
BMCBI
2008
117views more  BMCBI 2008»
13 years 8 months ago
An iterative block-shifting approach to retention time alignment that preserves the shape and area of gas chromatography-mass sp
Background: Metabolomics, petroleum and biodiesel chemistry, biomarker discovery, and other fields which rely on high-resolution profiling of complex chemical mixtures generate da...
Minho Chae, Robert J. Shmookler Reis, John J. Thad...