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Assessing the Performance of Non-Equilibrium Thermodynamic Integration in Flavodoxin Redox Potential Estimation

Flavodoxins are enzymes that contain the redox-active flavin mononucleotide (FMN) cofactor and play a crucial role in numerous biological processes, including energy conversion and electron transfer. Since the redox characteristics of flavodoxins are significantly impacted by the molecular environme...

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Detalles Bibliográficos
Autores principales: Silvestri, Giuseppe, Arrigoni, Federica, Persico, Francesca, Bertini, Luca, Zampella, Giuseppe, De Gioia, Luca, Vertemara, Jacopo
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10459689/
https://www.ncbi.nlm.nih.gov/pubmed/37630271
http://dx.doi.org/10.3390/molecules28166016