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AlphaFill: enriching AlphaFold models with ligands and cofactors

Artificial intelligence-based protein structure prediction approaches have had a transformative effect on biomolecular sciences. The predicted protein models in the AlphaFold protein structure database, however, all lack coordinates for small molecules, essential for molecular structure or function:...

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Detalles Bibliográficos
Autores principales: Hekkelman, Maarten L., de Vries, Ida, Joosten, Robbie P., Perrakis, Anastassis
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group US 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9911346/
https://www.ncbi.nlm.nih.gov/pubmed/36424442
http://dx.doi.org/10.1038/s41592-022-01685-y