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BMCBI
2010
113views more  BMCBI 2010»
13 years 4 months ago
Use of historic metabolic biotransformation data as a means of anticipating metabolic sites using MetaPrint2D and Bioclipse
Background: Predicting metabolic sites is important in the drug discovery process to aid in rapid compound optimisation. No interactive tool exists and most of the useful tools ar...
Lars Carlsson, Ola Spjuth, Samuel Adams, Robert C....
BMCBI
2010
117views more  BMCBI 2010»
13 years 4 months ago
MetAssimulo: Simulation of Realistic NMR Metabolic Profiles
Background: Probing the complex fusion of genetic and environmental interactions, metabolic profiling (or metabolomics/metabonomics), the study of small molecules involved in meta...
Harriet J. Muncey, Rebecca Jones, Maria De Iorio, ...
BMCBI
2010
191views more  BMCBI 2010»
13 years 4 months ago
BiGG: a Biochemical Genetic and Genomic knowledgebase of large scale metabolic reconstructions
Background: Genome-scale metabolic reconstructions under the Constraint Based Reconstruction and Analysis (COBRA) framework are valuable tools for analyzing the metabolic capabili...
Jan Schellenberger, Junyoung O. Park, Tom M. Conra...
BIOCOMP
2009
13 years 5 months ago
Evolution of Domain Compositions in the Metabolic Networks of Human and Escherichia Coli
It is widely recognized that complexity of metabolic networks arises from duplication, recruitment and recombination of enzyme protein domains. However, variations of the domain ev...
Chen-Hsiang Yeang, Nils Baas
CMSB
2003
Springer
13 years 10 months ago
A Method for Estimating Metabolic Fluxes from Incomplete Isotopomer Information
Metabolic flux estimation—the problem of finding out the rates of reactions in metabolic pathways—is an important problem area in the study of metabolism. The most accurate t...
Juho Rousu, Ari Rantanen, Hannu Maaheimo, Esa Pitk...
GCB
2004
Springer
101views Biometrics» more  GCB 2004»
13 years 10 months ago
Kleene's Theorem and the Solution of Metabolic Carbon Labeling Systems
: Carbon Labeling Systems (CLS) are large equation systems that describe the dynamics of labeled carbon atoms in a metabolic network. The rapid solution of these systems is the alg...
Nicole Isermann, Michael Weitzel, Wolfgang Wiecher...
DNA
2007
Springer
127views Bioinformatics» more  DNA 2007»
13 years 11 months ago
Discrete Simulations of Biochemical Dynamics
Abstract. Metabolic P systems, shortly MP systems, are a special class of P systems, introduced for expressing biological metabolism. Their dynamics are computed by metabolic algor...
Vincenzo Manca
CISIS
2010
IEEE
13 years 11 months ago
Logic-Based Steady-State Analysis and Revision of Metabolic Networks with Inhibition
—This paper presents a qualitative logic-based method for the steady-state analysis and revision of metabolic networks with inhibition. The approach is able to automatically revi...
Oliver Ray, Ken E. Whelan, Ross D. King