Quantifying the propagation of parametric uncertainty on flux balance analysis

HV Dinh, D Sarkar, CD Maranas - Metabolic engineering, 2022 - Elsevier
Flux balance analysis (FBA) and associated techniques operating on stoichiometric genome-
scale metabolic models play a central role in quantifying metabolic flows and constraining …

Efficient computation of adjoint sensitivities at steady-state in ODE models of biochemical reaction networks

P Lakrisenko, P Stapor, S Grein… - PLOS Computational …, 2023 - journals.plos.org
Dynamical models in the form of systems of ordinary differential equations have become a
standard tool in systems biology. Many parameters of such models are usually unknown and …

PCA-based synthetic sensitivity coefficients for chemical reaction network in cancer

G Biddau, G Caviglia, M Piana, S Sommariva - Scientific Reports, 2024 - nature.com
Chemical reaction networks are powerful tools for modeling cell signaling and its disruptions
in diseases like cancer. Realistic chemical reaction networks involve hundreds of proteins …

Identification of conserved moieties in metabolic networks by graph theoretical analysis of atom transition networks

HS Haraldsdóttir, RMT Fleming - PLOS Computational Biology, 2016 - journals.plos.org
Conserved moieties are groups of atoms that remain intact in all reactions of a metabolic
network. Identification of conserved moieties gives insight into the structure and function of …

Computational quantification of global effects induced by mutations and drugs in signaling networks of colorectal cancer cells

S Sommariva, G Caviglia, S Ravera, F Frassoni… - Scientific reports, 2021 - nature.com
Colorectal cancer (CRC) is one of the most deadly and commonly diagnosed tumors
worldwide. Several genes are involved in its development and progression. The most …

Simulating single-cell metabolism using a stochastic flux-balance analysis algorithm

DS Tourigny, AP Goldberg, JR Karr - Biophysical Journal, 2021 - cell.com
Stochasticity from gene expression in single cells is known to drive metabolic heterogeneity
at the level of cellular populations, which is understood to have important consequences for …

Benchmarking methods for computing local sensitivities in ordinary differential equation models at dynamic and steady states

P Lakrisenko, D Pathirana, D Weindl, J Hasenauer - Plos one, 2024 - journals.plos.org
Estimating parameters of dynamic models from experimental data is a challenging, and
often computationally-demanding task. It requires a large number of model simulations and …

Thermodynamic and stoichiometric laws ruling the fates of growing systems

A Kamimura, Y Sughiyama, TJ Kobayashi - Physical Review Research, 2024 - APS
We delve into growing open chemical reaction systems (CRSs) characterized by
autocatalytic reactions within a variable volume, which changes in response to these …

Gain and loss of function mutations in biological chemical reaction networks: a mathematical model with application to colorectal cancer cells

S Sommariva, G Caviglia, M Piana - Journal of Mathematical Biology, 2021 - Springer
This paper studies a system of Ordinary Differential Equations modeling a chemical reaction
network and derives from it a simulation tool mimicking Loss of Function and Gain of …

A UHPLC-QE-MS-based metabolomics approach for the evaluation of fermented lipase by an engineered Escherichia coli

J Zhang, Y Zhang, W Luo, Z Wang, P Lv… - Preparative …, 2024 - Taylor & Francis
Using an engineered Escherichia coli to produce lipase and can easily achieve high-level
expression. The investigation of biochemical processes during lipase fermentation …