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Docking for molecules that bind in a symmetric stack with SymDOCK

Discovering ligands for amyloid fibrils, such as those formed by the tau protein, is an area of much current interest. In recent structures, ligands bind in stacks in the tau fibrils to reflect the rotational and translational symmetry of the fibril itself; in these structures the ligands make few i...

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Detalles Bibliográficos
Autores principales: Smith, Matthew S., Knight, Ian S., Kormos, Rian C., Pepe, Joseph G., Kunach, Peter, Diamond, Marc I., Shahmoradian, Sarah H., Irwin, John J., DeGrado, William F., Shoichet, Brian K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Cold Spring Harbor Laboratory 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10634874/
https://www.ncbi.nlm.nih.gov/pubmed/37961414
http://dx.doi.org/10.1101/2023.10.27.564400