ArticlePLoS computational biology2018
Quantum chemistry reveals thermodynamic principles of redox biochemistry.
Article in PLoS computational biology, 2018. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 13 papers.
What it found
Each row is one number read from the abstract, on the scale the paper reported it, with its interval. Left of the dashed line favours the treatment, right favours the comparator. Under each row is the sentence it came from. New to these charts? A ten-minute tutorial.
The abstract states no effect estimate the extractor could read, or names no intervention and outcome on the map, so this paper lights no cell and moves no belief. It is still indexed, cited and linked below.
The trial behind it
Trials whose registry record cites this paper, or whose number appears in the abstract. A trial that started after this paper was published is citing it as background, not reporting it.
Neither the registry nor the abstract names a trial number. If this is a trial report, that itself is worth knowing.
Who cites it
13 citing papers in PubMed.
- Quantum medicine: A quantum-mechanical framework for redox biology, disease and precision medicine.Clinical and translational medicine · 2026Review
- Machine Learning Approach to Vertical Energy Gap in Redox Processes.Journal of chemical theory and computation · 2024Article
- Propofol Reversibly Attenuates Short-Range Microstate Ordering and 20 Hz Microstate Oscillations.Brain topography · 2024Article
- Functional convergence in slow-growing microbial communities arises from thermodynamic constraints.The ISME journal · 2023Article
- Protein cost minimization promotes the emergence of coenzyme redundancy.Proceedings of the National Academy of Sciences of the United States of America · 2022Article
- eQuilibrator 3.0: a database solution for thermodynamic constant estimation.Nucleic acids research · 2022Article
- Sepsis: Evidence-based pathogenesis and treatment.World journal of critical care medicine · 2021Review
- A Computational Protocol Combining DFT and Cheminformatics for Prediction of pH-Dependent Redox Potentials.Molecules (Basel, Switzerland) · 2021Article
- Quantum Mechanical Methods Predict Accurate Thermodynamics of Biochemical Reactions.ACS omega · 2021Article
- A chemically consistent graph architecture for massive reaction networks applied to solid-electrolyte interphase formation.Chemical science · 2021Article
- A thermodynamic atlas of carbon redox chemical space.Proceedings of the National Academy of Sciences of the United States of America · 2020Article
- Article
- 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 Redox Reactions.ACS central science · 2019Article
Corrections and comments
PubMed lists nothing against this paper. Absence here is not a guarantee, only a check that was made.
Authors and funding
9 authors.
Funding
No grant is acknowledged in the PubMed record.
Abstract
Thermodynamics dictates the structure and function of metabolism. Redox reactions drive cellular energy and material flow. Hence, accurately quantifying the thermodynamics of redox reactions should reveal design principles that shape cellular metabolism. However, only few redox potentials have been measured, and mostly with inconsistent experimental setups. Here, we develop a quantum chemistry approach to calculate redox potentials of biochemical reactions and demonstrate our method predicts experimentally measured potentials with unparalleled accuracy. We then calculate the potentials of all redox pairs that can be generated from biochemically relevant compounds and highlight fundamental trends in redox biochemistry. We further address the question of why NAD/NADP are used as primary electron carriers, demonstrating how their physiological potential range fits the reactions of central metabolism and minimizes the concentration of reactive carbonyls. The use of quantum chemistry can revolutionize our understanding of biochemical phenomena by enabling fast and accurate calculation of thermodynamic values.
Indexed as
Identifiers
What OpenQuestion holds
Registered trials
Read under generation 80e0d062 · epoch 390. Bibliography from PubMed, PubMed Central and OpenAlex; grants from NIH RePORTER; trial links from ClinicalTrials.gov; estimates, votes and beliefs from the OpenQuestion graph.