| Title: |
multiTFA:A python package for multi-variate thermodynamics-based flux analysis |
| Authors: |
Mahamkali, Vishnuvardhan; McCubbin, Tim; Beber, Moritz Emanuel; Noor, Elad; Marcellin, Esteban; Nielsen, Lars Keld |
| Source: |
Mahamkali , V , McCubbin , T , Beber , M E , Noor , E , Marcellin , E & Nielsen , L K 2021 , ' multiTFA : A python package for multi-variate thermodynamics-based flux analysis ' , Bioinformatics , vol. 37 , no. 18 , pp. 3064-3066 . https://doi.org/10.1093/bioinformatics/btab151 |
| Publication Year: |
2021 |
| Collection: |
Technical University of Denmark: DTU Orbit / Danmarks Tekniske Universitet |
| Description: |
Motivation: We achieve a significant improvement in thermodynamic-based flux analysis (TFA) by introducing multivariate treatment of thermodynamic variables and leveraging component contribution, the state-of-the-art implementation of the group contribution methodology. Overall, the method greatly reduces the uncertainty of thermodynamic variables. Results: We present multiTFA, a Python implementation of our framework. We evaluated our application using the core Escherichia coli model and achieved a median reduction of 6.8 kJ/mol in reaction Gibbs free energy ranges, while three out of 12 reactions in glycolysis changed from reversible to irreversible. Availability and implementation: Our framework along with documentation is available on https://github.com/biosustain/multitfa. |
| Document Type: |
article in journal/newspaper |
| File Description: |
application/pdf |
| Language: |
English |
| DOI: |
10.1093/bioinformatics/btab151 |
| Availability: |
https://orbit.dtu.dk/en/publications/b03819ff-db35-4c16-aa44-464de2a5ea9f; https://doi.org/10.1093/bioinformatics/btab151; https://backend.orbit.dtu.dk/ws/files/259036313/btab151.pdf |
| Rights: |
info:eu-repo/semantics/openAccess |
| Accession Number: |
edsbas.37E56C99 |
| Database: |
BASE |