A compartmented in silico model of Rapeseed central metabolism
Poster Aug 12, 2009
A large-scale in silico model was constructed for the simulation of the central metabolism of Rapeseed embryos. In order to validate this model, we performed constraint-based Flux Balance Analysis, through application of linear optimization methods. Further exploiting the derived model, an in silico gene deletion analysis and a systemic regulatory analysis by Singular Value Decomposition of the steady-state flux space were performed.
RAMclust/RAMsearch: efficient post-XCMS feature clustering and annotation of MS-based metabolomics datasetsPoster
Chromatographically coupled mass spectrometry is a powerful tool for profiling, semi-quantitatively or quantitatively, a breadth of small molecules with sensitivity and selectivity.READ MORE
A Novel Benchtop Time-of-Flight GC-MS System for High Performance Analysis of Human UrinePoster
A workflow was developed and implemented for the effective comparison of urine. It involved the preparation of stable compounds through derivatization, data acquisition using a high performance benchtop TOFMS, comprehensive data processing (NonTarget Deconvolution™), and quick retrospective analysis of rich datasets using Target Analyte Finding.
Platform Agnostic Data Processing Routine for Targeted and Untargeted Metabolite Identification in Drug DiscoveryPoster
A discussion of a new informatics solution that addresses common challenges in metabolite identification and characterization--from LC/MS data processing and metabolites prediction to reporting and databasing of assembled biotransformation knowledge.READ MORE
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