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Third-generation biorefineries as the means to produce fuels and chemicals from CO2
Concerns regarding petroleum depletion and global climate change caused by greenhouse
gas emissions have spurred interest in renewable alternatives to fossil fuels. Third …
gas emissions have spurred interest in renewable alternatives to fossil fuels. Third …
eQuilibrator 3.0: a database solution for thermodynamic constant estimation
ME Beber, MG Gollub, D Mozaffari… - Nucleic acids …, 2022 - academic.oup.com
Abstract eQuilibrator (equilibrator. weizmann. ac. il) is a database of biochemical equilibrium
constants and Gibbs free energies, originally designed as a web-based interface. While the …
constants and Gibbs free energies, originally designed as a web-based interface. While the …
Recent advances in constraint and machine learning-based metabolic modeling by leveraging stoichiometric balances, thermodynamic feasibility and kinetic law …
Understanding the governing principles behind organisms' metabolism and growth
underpins their effective deployment as bioproduction chassis. A central objective of …
underpins their effective deployment as bioproduction chassis. A central objective of …
A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation
Modeling reactivity with chemical reaction networks could yield fundamental mechanistic
understanding that would expedite the development of processes and technologies for …
understanding that would expedite the development of processes and technologies for …
A mixed quantum chemistry/machine learning approach for the fast and accurate prediction of biochemical redox potentials and its large-scale application to 315 000 …
A quantitative understanding of the thermodynamics of biochemical reactions is essential for
accurately modeling metabolism. The group contribution method (GCM) is one of the most …
accurately modeling metabolism. The group contribution method (GCM) is one of the most …
Machine Learning Approach to Vertical Energy Gap in Redox Processes
A straightforward approach to calculating the free energy change (Δ G) and reorganization
energy of a redox process is linear response approximation (LRA). However, accurate …
energy of a redox process is linear response approximation (LRA). However, accurate …
[HTML][HTML] A computational protocol combining DFT and cheminformatics for prediction of pH-dependent redox potentials
Discovering new materials for energy storage requires reliable and efficient protocols for
predicting key properties of unknown compounds. In the context of the search for new …
predicting key properties of unknown compounds. In the context of the search for new …
Two for the price of one: Attacking the energetic-metabolic hub of mycobacteria to produce new chemotherapeutic agents
Cellular bioenergetics is an area showing promise for the development of new
antimicrobials, antimalarials and cancer therapy. Enzymes involved in central carbon …
antimicrobials, antimalarials and cancer therapy. Enzymes involved in central carbon …
Where do the electrons go? How numerous redox processes drive phytochemical diversity: Redox processes in phytochemistry
PJ Horn - Phytochemistry Reviews, 2021 - Springer
Plants produce structurally and functionally diverse metabolites that are key to many
physiological processes such as growth and development, reproduction, defense, and …
physiological processes such as growth and development, reproduction, defense, and …
Quantum mechanical methods predict accurate thermodynamics of biochemical reactions
Thermodynamics plays a crucial role in regulating the metabolic processes in all living
organisms. Accurate determination of biochemical and biophysical properties is important to …
organisms. Accurate determination of biochemical and biophysical properties is important to …