dGPredictor: Automated fragmentation method for metabolic reaction free energy prediction and de novo pathway design
Lin Wang, Vikas Upadhyay, Costas D. Maranas
dGPredictor improves thermodynamic analysis of metabolic reactions by incorporating stereochemistry and enables accurate prediction of free energy changes for novel reactions and pathway design.
PLoS Computational Biology · Sep 27, 2021Peer-reviewedBioinformatics