Determination of Ligand-Binding Affinity (K(d)) Using Transverse Relaxation Rate (R(2)) in the Ligand-Observed (1)H NMR Experiment and Applications to Fragment-Based Drug Discovery

[Image: see text] High hit rates from initial ligand-observed NMR screening can make it challenging to prioritize which hits to follow up, especially in cases where there are no available crystal structures of these hits bound to the target proteins or other strategies to provide affinity ranking. H...

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Detalles Bibliográficos
Autores principales: Liu, Manjuan, Mirza, Amin, McAndrew, P. Craig, Thapaliya, Arjun, Pierrat, Olivier A., Stubbs, Mark, Hahner, Tamas, Chessum, Nicola E. A., Innocenti, Paolo, Caldwell, John, Cheeseman, Matthew D., Bellenie, Benjamin R., van Montfort, Rob L. M., Newton, Gary K., Burke, Rosemary, Collins, Ian, Hoelder, Swen
Formato: Online Artículo Texto
Lenguaje:English
Publicado: American Chemical Society 2023
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10424183/
https://www.ncbi.nlm.nih.gov/pubmed/37467168
http://dx.doi.org/10.1021/acs.jmedchem.3c00758

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