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Approaching protein design with multisite λ dynamics: Accurate and scalable mutational folding free energies in T4 lysozyme

The estimation of changes in free energy upon mutation is central to the problem of protein design. Modern protein design methods have had remarkable success over a wide range of design targets, but are reaching their limits in ligand binding and enzyme design due to insufficient accuracy in mutatio...

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Detalles Bibliográficos
Publicado en:Protein Sci
Autores principales: Hayes, Ryan L., Vilseck, Jonah Z., Brooks, Charles L.
Formato: Artigo
Lenguaje:Inglês
Publicado: John Wiley & Sons, Inc. 2018
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Acceso en línea:https://ncbi.nlm.nih.gov/pmc/articles/PMC6225981/
https://ncbi.nlm.nih.gov/pubmed/30175503
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1002/pro.3500
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