[HTML][HTML] Computational tools and resources for designing new pathways to small molecules

A Sveshnikova, H MohammadiPeyhani… - Current Opinion in …, 2022 - Elsevier
The metabolic engineering community relies on computational methods for pathway design
to produce important small molecules in microbial hosts. Metabolic network databases are …

Design of microbial catalysts for two-stage processes

K Shabestary, S Klamt, H Link, R Mahadevan… - Nature Reviews …, 2024 - nature.com
Microbial catalysts must partition incoming substrate between the synthesis of biomass and
the synthesis of a desired product. Although biomass synthesis generates more catalyst and …

A computational workflow for the expansion of heterologous biosynthetic pathways to natural product derivatives

J Hafner, J Payne, H MohammadiPeyhani… - Nature …, 2021 - nature.com
Plant natural products (PNPs) and their derivatives are important but underexplored sources
of pharmaceutical molecules. To access this untapped potential, the reconstitution of …

Integrating thermodynamic and enzymatic constraints into genome-scale metabolic models

X Yang, Z Mao, X Zhao, R Wang, P Zhang, J Cai… - Metabolic …, 2021 - Elsevier
Stoichiometric genome-scale metabolic network models (GEMs) have been widely used to
predict metabolic phenotypes. In addition to stoichiometric ratios, other constraints such as …

Rank-ordering of known enzymes as starting points for re-engineering novel substrate activity using a convolutional neural network

V Upadhyay, VS Boorla, CD Maranas - Metabolic engineering, 2023 - Elsevier
Retro-biosynthetic approaches have made significant advances in predicting synthesis
routes of target biofuel, bio-renewable or bio-active molecules. The use of only cataloged …

Expanding biochemical knowledge and illuminating metabolic dark matter with ATLASx

H MohammadiPeyhani, J Hafner… - Nature …, 2022 - nature.com
Metabolic “dark matter” describes currently unknown metabolic processes, which form a
blind spot in our general understanding of metabolism and slow down the development of …

[PDF][PDF] 多约束代谢网络模型的研究进展

杨雪, 张培基, 毛志涛, 赵欣, 王若宇, 蔡敬一… - 生物工程 …, 2022 - researchgate.net
基于约束的基因组尺度代谢网络模型(genome-scale metabolic models, GEMs)
分析已被广泛应用于代谢表型的预测. 而实际细胞中代谢速率除计量学约束外 …

dGPredictor: Automated fragmentation method for metabolic reaction free energy prediction and de novo pathway design

L Wang, V Upadhyay, CD Maranas - PLoS computational biology, 2021 - journals.plos.org
Group contribution (GC) methods are conventionally used in thermodynamics analysis of
metabolic pathways to estimate the standard Gibbs energy change (Δ r G′ o) of enzymatic …

Computationally prospecting potential pathways from lignin monomers and dimers toward aromatic compounds

L Wang, CD Maranas - ACS Synthetic Biology, 2021 - ACS Publications
The heterogeneity of the aromatic products originating from lignin catalytic depolymerization
remains one of the major challenges associated with lignin valorization. Microbes have …

Bioinformatics Methods for Constructing Metabolic Networks

DV Petrovsky, KA Malsagova, VR Rudnev, LI Kulikova… - Processes, 2023 - mdpi.com
Metabolic pathway prediction and reconstruction play crucial roles in solving fundamental
and applied biomedical problems. In the case of fundamental research, annotation of …