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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:	Article
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

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