[HTML][HTML] OptMDFpathway: Identification of metabolic pathways with maximal thermodynamic driving force and its application for analyzing the endogenous CO2 fixation potential …

O Hädicke, A von Kamp, T Aydogan… - PLoS computational …, 2018 - journals.plos.org
Constraint-based modeling techniques have become a standard tool for the in silico
analysis of metabolic networks. To further improve their accuracy, recent methodological …

[HTML][HTML] Quantitative assessment of thermodynamic constraints on the solution space of genome-scale metabolic models

JJ Hamilton, V Dwivedi, JL Reed - Biophysical journal, 2013 - cell.com
Constraint-based methods provide powerful computational techniques to allow
understanding and prediction of cellular behavior. These methods rely on physiochemical …

[HTML][HTML] Interplay between constraints, objectives, and optimality for genome-scale stoichiometric models

TR Maarleveld, MT Wortel, BG Olivier… - PLoS computational …, 2015 - journals.plos.org
High-throughput data generation and genome-scale stoichiometric models have greatly
facilitated the comprehensive study of metabolic networks. The computation of all feasible …

[HTML][HTML] Thermodynamic analysis of computed pathways integrated into the metabolic networks of E. coli and Synechocystis reveals contrasting expansion potential

J Asplund-Samuelsson, M Janasch, EP Hudson - Metabolic engineering, 2018 - Elsevier
Introducing biosynthetic pathways into an organism is both reliant on and challenged by
endogenous biochemistry. Here we compared the expansion potential of the metabolic …

Quantitative assignment of reaction directionality in constraint-based models of metabolism: application to Escherichia coli

RMT Fleming, I Thiele, HP Nasheuer - Biophysical chemistry, 2009 - Elsevier
Constraint-based modeling is an approach for quantitative prediction of net reaction flux in
genome-scale biochemical networks. In vivo, the second law of thermodynamics requires …

[HTML][HTML] Systematic assignment of thermodynamic constraints in metabolic network models

A Kümmel, S Panke, M Heinemann - BMC bioinformatics, 2006 - Springer
Background The availability of genome sequences for many organisms enabled the
reconstruction of several genome-scale metabolic network models. Currently, significant …

[HTML][HTML] A scalable algorithm to explore the Gibbs energy landscape of genome-scale metabolic networks

D De Martino, M Figliuzzi, A De Martino… - PLoS computational …, 2012 - journals.plos.org
The integration of various types of genomic data into predictive models of biological
networks is one of the main challenges currently faced by computational biology. Constraint …

[HTML][HTML] Identification of functional differences in metabolic networks using comparative genomics and constraint-based models

JJ Hamilton, JL Reed - PloS one, 2012 - journals.plos.org
Genome-scale network reconstructions are useful tools for understanding cellular
metabolism, and comparisons of such reconstructions can provide insight into metabolic …

[HTML][HTML] Identification of genome-scale metabolic network models using experimentally measured flux profiles

MJ Herrgård, SS Fong, BØ Palsson - PLoS computational biology, 2006 - journals.plos.org
Genome-scale metabolic network models can be reconstructed for well-characterized
organisms using genomic annotation and literature information. However, there are many …

Predicting Gene Essentiality Using Genome-Scale in Silico Models

AR Joyce, BØ Palsson - Microbial Gene Essentiality: Protocols and …, 2008 - Springer
Genome-scale metabolic models of organisms can be reconstructed using annotated
genome sequence information, well-curated databases, and primary research literature. The …