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Improving the accuracy of high-throughput protein-protein affinity prediction may require better training data

BACKGROUND: One goal of structural biology is to understand how a protein’s 3-dimensional conformation determines its capacity to interact with potential ligands. In the case of small chemical ligands, deconstructing a static protein-ligand complex into its constituent atom-atom interactions is typi...

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Detalles Bibliográficos
Autores principales: Dias, Raquel, Kolaczkowski, Bryan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: BioMed Central 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5374557/
https://www.ncbi.nlm.nih.gov/pubmed/28361672
http://dx.doi.org/10.1186/s12859-017-1533-z