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Quantum Chemical Approach to Estimating the Thermodynamics of Metabolic Reactions
Thermodynamics plays an increasingly important role in modeling and engineering metabolism. We present the first nonempirical computational method for estimating standard Gibbs reaction energies of metabolic reactions based on quantum chemistry, which can help fill in the gaps in the existing thermo...
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| Publicado no: | Sci Rep |
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| Main Authors: | , , , , , , , |
| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Publishing Group
2014
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| Assuntos: | |
| Acesso em linha: | https://ncbi.nlm.nih.gov/pmc/articles/PMC5381496/ https://ncbi.nlm.nih.gov/pubmed/25387603 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1038/srep07022 |
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