Computing Elementary Flux Modes Involving a Set of Target Reactions.

IEEE/ACM transactions on computational biology and bioinformatics / IEEE, ACM

PubMedID: 26357047

David L, Bockmayr A. Computing Elementary Flux Modes Involving a Set of Target Reactions. IEEE/ACM Trans Comput Biol Bioinform. 2015;11(6):1099-107.
Elementary flux mode (EM) computation is an important tool in the constraint-based analysis of genome-scale metabolic networks. Due to the combinatorial complexity of these networks, as well as the advances in the level of detail to which they can be reconstructed, an exhaustive enumeration of all EMs is often not practical. Therefore, in recent years interest has shifted towards searching EMs with specific properties. We present a novel method that allows computing EMs containing a given set of target reactions. This generalizes previous algorithms where the set of target reactions consists of a single reaction. In the one-reaction case, our method compares favorably to the previous approaches. In addition, we present several applications of our algorithm for computing EMs containing two target reactions in genome-scale metabolic networks. A software tool implementing the algorithms described in this paper is available at https://sourceforge. net/projects/caefm.