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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Detalles Bibliográficos
Autores principales: Jinich, Adrian, Rappoport, Dmitrij, Dunn, Ian, Sanchez-Lengeling, Benjamin, Olivares-Amaya, Roberto, Noor, Elad, Even, Arren Bar, Aspuru-Guzik, Alán
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2014
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5381496/
https://www.ncbi.nlm.nih.gov/pubmed/25387603
http://dx.doi.org/10.1038/srep07022

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