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Modeling Metabolic Pathways: A Bioinformatics Approach
Imran Shah
University of Colorado
The overall goal of this project is to develop novel bioinformatics tools to aid metabolic engineering (ME). The final final product this project is a predictive computational system for metabolic pathway elucidation utilizing high-throughput biomolecular data (mostly genomic sequence and expression), background biological knowledge and novel inference techniques. To achieve this goal we are developing bioinformatics software to address the following challenges: (i) biochemical data representation and integration from public domain sources, which is necessary to effectively compute with biomolecular information; (ii) the accurate assignment of biocatalytic function to protein sequences using machine learning methods, which is necessary to place putative proteins in a biochemical context, and (iii) the elucidation of pathways by heuristic search, which is necessary to automatically relate sets of putative enzymes in a broader metabolic context. When implemented the system will be made available to the ME community through interactive web-accessible software. We are approaching the problem in a general manner so that the system will be useful in annotating whole microbial genomes, in finding alternative routes in a partially complete pathways, or even elucidating pathways that have not been observed before.

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