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Exploring Multi‐Subsite Binding Pockets in Proteins: DEEP‐STD NMR Fingerprinting and Molecular Dynamics Unveil a Cryptic Subsite at the GM1 Binding Pocket of Cholera Toxin B

Ligand‐based NMR techniques to study protein–ligand interactions are potent tools in drug design. Saturation transfer difference (STD) NMR spectroscopy stands out as one of the most versatile techniques, allowing screening of fragments libraries and providing structural information on binding modes....

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Detalles Bibliográficos
Autores principales: Monaco, Serena, Walpole, Samuel, Doukani, Hassan, Nepravishta, Ridvan, Martínez‐Bailén, Macarena, Carmona, Ana T., Ramos‐Soriano, Javier, Bergström, Maria, Robina, Inmaculada, Angulo, Jesus
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7496166/
https://www.ncbi.nlm.nih.gov/pubmed/32449563
http://dx.doi.org/10.1002/chem.202001723