Reaction routes in biochemical reaction Systems: algebraic properties, validated calculation procedure and example from nucleotide metabolism

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Reaction routes in biochemical reaction Systems: algebraic properties, validated calculation procedure and example from nucleotide metabolism. / Schuster, S; Hilgetag, C; Woods, J H; Fell, D A.

in: J MATH BIOL, Jahrgang 45, Nr. 2, 08.2002, S. 153-81.

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@article{07d8f39f62114d0d9bdf15fc4619aa0d,
title = "Reaction routes in biochemical reaction Systems: algebraic properties, validated calculation procedure and example from nucleotide metabolism",
abstract = "Elementary flux modes (direct reaction routes) are minimal sets of enzymes that can operate at steady state, with all irreversible reactions used in the appropriate direction. They can be interpreted as component pathways of a (bio)chemical reaction network. Here, two different definitions of elementary modes are given and their equivalence is proved. Several algebraic properties of elementary modes are then presented and proved. This concerns, amongst other features, the minimal number of enzymes of the network not used in an elementary mode and the situations where irreversible reactions are replaced by reversible ones. Based on these properties, a refined algorithm is presented, and it is formally proved that this algorithm will exclusively generate all the elementary flux modes of an arbitrary network containing reversible or irreversible reactions or both. The algorithm is illustrated by a biochemical example relevant in nucleotide metabolism. The computer implementation in two different programming languages is discussed.",
keywords = "Adenine Nucleotides, Algorithms, Animals, Catalysis, Humans, Kinetics, Models, Biological, Multienzyme Complexes, Reproducibility of Results, Journal Article",
author = "S Schuster and C Hilgetag and Woods, {J H} and Fell, {D A}",
year = "2002",
month = aug,
doi = "10.1007/s002850200143",
language = "English",
volume = "45",
pages = "153--81",
journal = "J MATH BIOL",
issn = "0303-6812",
publisher = "Springer",
number = "2",

}

RIS

TY - JOUR

T1 - Reaction routes in biochemical reaction Systems: algebraic properties, validated calculation procedure and example from nucleotide metabolism

AU - Schuster, S

AU - Hilgetag, C

AU - Woods, J H

AU - Fell, D A

PY - 2002/8

Y1 - 2002/8

N2 - Elementary flux modes (direct reaction routes) are minimal sets of enzymes that can operate at steady state, with all irreversible reactions used in the appropriate direction. They can be interpreted as component pathways of a (bio)chemical reaction network. Here, two different definitions of elementary modes are given and their equivalence is proved. Several algebraic properties of elementary modes are then presented and proved. This concerns, amongst other features, the minimal number of enzymes of the network not used in an elementary mode and the situations where irreversible reactions are replaced by reversible ones. Based on these properties, a refined algorithm is presented, and it is formally proved that this algorithm will exclusively generate all the elementary flux modes of an arbitrary network containing reversible or irreversible reactions or both. The algorithm is illustrated by a biochemical example relevant in nucleotide metabolism. The computer implementation in two different programming languages is discussed.

AB - Elementary flux modes (direct reaction routes) are minimal sets of enzymes that can operate at steady state, with all irreversible reactions used in the appropriate direction. They can be interpreted as component pathways of a (bio)chemical reaction network. Here, two different definitions of elementary modes are given and their equivalence is proved. Several algebraic properties of elementary modes are then presented and proved. This concerns, amongst other features, the minimal number of enzymes of the network not used in an elementary mode and the situations where irreversible reactions are replaced by reversible ones. Based on these properties, a refined algorithm is presented, and it is formally proved that this algorithm will exclusively generate all the elementary flux modes of an arbitrary network containing reversible or irreversible reactions or both. The algorithm is illustrated by a biochemical example relevant in nucleotide metabolism. The computer implementation in two different programming languages is discussed.

KW - Adenine Nucleotides

KW - Algorithms

KW - Animals

KW - Catalysis

KW - Humans

KW - Kinetics

KW - Models, Biological

KW - Multienzyme Complexes

KW - Reproducibility of Results

KW - Journal Article

U2 - 10.1007/s002850200143

DO - 10.1007/s002850200143

M3 - SCORING: Journal article

C2 - 12181603

VL - 45

SP - 153

EP - 181

JO - J MATH BIOL

JF - J MATH BIOL

SN - 0303-6812

IS - 2

ER -