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Quantification of free ligand conformational preferences by NMR and their relationship to the bioactive conformation()

Accurate unbound solution 3D-structures of ligands provide unique opportunities for medicinal chemistry and, in particular, a context to understand binding thermodynamics and kinetics. Previous methods of deriving these 3D-structures have had neither the accuracy nor resolution needed for drug desig...

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Detalles Bibliográficos
Autores principales: Blundell, Charles D., Packer, Martin J., Almond, Andrew
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier Science 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3744816/
https://www.ncbi.nlm.nih.gov/pubmed/23886813
http://dx.doi.org/10.1016/j.bmc.2013.06.056