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BMCBI
2010
151views more  BMCBI 2010»
14 years 12 months ago
Using diffusion distances for flexible molecular shape comparison
Background: Many molecules are flexible and undergo significant shape deformation as part of their function, and yet most existing molecular shape comparison (MSC) methods treat t...
Yu-Shen Liu, Qi Li, Guo-Qin Zheng, Karthik Ramani,...
BMCBI
2010
161views more  BMCBI 2010»
14 years 12 months ago
BPDA - A Bayesian peptide detection algorithm for mass spectrometry
Background: Mass spectrometry (MS) is an essential analytical tool in proteomics. Many existing algorithms for peptide detection are based on isotope template matching and usually...
Youting Sun, Jianqiu Zhang, Ulisses Braga-Neto, Ed...
BMCBI
2007
101views more  BMCBI 2007»
14 years 12 months ago
Statistical validation of megavariate effects in ASCA
Background: Innovative extensions of (M) ANOVA gain common ground for the analysis of designed metabolomics experiments. ASCA is such a multivariate analysis method; it has succes...
Daniel J. Vis, Johan A. Westerhuis, Age K. Smilde,...
BMCBI
2007
106views more  BMCBI 2007»
14 years 12 months ago
Improved classification accuracy in 1- and 2-dimensional NMR metabolomics data using the variance stabilising generalised logari
Background: Classifying nuclear magnetic resonance (NMR) spectra is a crucial step in many metabolomics experiments. Since several multivariate classification techniques depend up...
Helen M. Parsons, Christian Ludwig, Ulrich L. G&uu...
BMCBI
2007
107views more  BMCBI 2007»
14 years 12 months ago
Reuse of structural domain-domain interactions in protein networks
Background: Protein interactions are thought to be largely mediated by interactions between structural domains. Databases such as iPfam relate interactions in protein structures t...
Benjamin Schuster-Böckler, Alex Bateman