An introduction to the maximum entropy approach and its application to inference problems in biology

A De Martino, D De Martino - Heliyon, 2018 - cell.com
A cornerstone of statistical inference, the maximum entropy framework is being increasingly
applied to construct descriptive and predictive models of biological systems, especially …

Integrating–omics data into genome-scale metabolic network models: principles and challenges

C Ramon, MG Gollub, J Stelling - Essays in biochemistry, 2018 - portlandpress.com
At genome scale, it is not yet possible to devise detailed kinetic models for metabolism
because data on the in vivo biochemistry are too sparse. Predictive large-scale models for …

Flux sampling is a powerful tool to study metabolism under changing environmental conditions

HA Herrmann, BC Dyson, L Vass… - NPJ systems biology …, 2019 - nature.com
The development of high-throughput 'omic techniques has sparked a rising interest in
genome-scale metabolic models, with applications ranging from disease diagnostics to crop …

CHRR: coordinate hit-and-run with rounding for uniform sampling of constraint-based models

HS Haraldsdóttir, B Cousins, I Thiele… - …, 2017 - academic.oup.com
In constraint-based metabolic modelling, physical and biochemical constraints define a
polyhedral convex set of feasible flux vectors. Uniform sampling of this set provides an …

A comparison of Monte Carlo sampling methods for metabolic network models

S Fallahi, HJ Skaug, G Alendal - Plos one, 2020 - journals.plos.org
Reaction rates (fluxes) in a metabolic network can be analyzed using constraint-based
modeling which imposes a steady state assumption on the system. In a deterministic …

Predicting Dynamic Metabolic Demands in the Photosynthetic Eukaryote Chlorella vulgaris

C Zuñiga, J Levering, MR Antoniewicz… - Plant …, 2018 - academic.oup.com
Phototrophic organisms exhibit a highly dynamic proteome, adapting their biomass
composition in response to diurnal light/dark cycles and nutrient availability. Here, we used …

Practical sampling of constraint-based models: Optimized thinning boosts CHRR performance

JF Jadebeck, W Wiechert, K Nöh - PLoS computational biology, 2023 - journals.plos.org
Thinning is a sub-sampling technique to reduce the memory footprint of Markov chain Monte
Carlo. Despite being commonly used, thinning is rarely considered efficient. For sampling …

Statistical mechanics for metabolic networks during steady state growth

D De Martino, A Mc Andersson, T Bergmiller… - Nature …, 2018 - nature.com
Which properties of metabolic networks can be derived solely from stoichiometry? Predictive
results have been obtained by flux balance analysis (FBA), by postulating that cells set …

Seeing the wood for the trees: a forest of methods for optimization and omic-network integration in metabolic modelling

S Vijayakumar, M Conway, P Lió… - Briefings in …, 2018 - academic.oup.com
Metabolic modelling has entered a mature phase with dozens of methods and software
implementations available to the practitioner and the theoretician. It is not easy for a …

Growth against entropy in bacterial metabolism: the phenotypic trade-off behind empirical growth rate distributions in E. coli

D De Martino, F Capuani, A De Martino - Physical biology, 2016 - iopscience.iop.org
The solution space of genome-scale models of cellular metabolism provides a map between
physically viable flux configurations and cellular metabolic phenotypes described, at the …