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Approximating conformational Boltzmann distributions with AlphaFold2 predictions

Protein dynamics are intimately tied to biological function and can enable processes such as signal transduction, enzyme catalysis, and molecular recognition. The relative free energies of conformations that contribute to these functional equilibria are evolved for the physiology of the organism. De...

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Detalles Bibliográficos
Autores principales: Brown, Benjamin P., Stein, Richard A., Meiler, Jens, Mchaourab, Hassane
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10441281/
https://www.ncbi.nlm.nih.gov/pubmed/37609301
http://dx.doi.org/10.1101/2023.08.06.552168