Speeding up the core algorithm for the dual calculation of minimal cut sets in large metabolic networks.

Steffen Klamt Radhakrishnan Mahadevan Axel von Kamp

Published in: BMC bioinformatics (2020)

Our results further enhance the algorithmic toolbox for MCS calculations and are of general importance for theoretical developments as well as for practical applications of the MCS framework.

Keyphrases

monte carlo
density functional theory
machine learning
molecular dynamics
molecular dynamics simulations
deep learning
neural network