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Fragment Hotspot Mapping to Identify Selectivity-Determining Regions between Related Proteins

[Image: see text] Selectivity is a crucial property in small molecule development. Binding site comparisons within a protein family are a key piece of information when aiming to modulate the selectivity profile of a compound. Binding site differences can be exploited to confer selectivity for a spec...

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Detalles Bibliográficos
Autores principales:	Smilova, Mihaela D., Curran, Peter R., Radoux, Chris J., von Delft, Frank, Cole, Jason C., Bradley, Anthony R., Marsden, Brian D.
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2022
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8790751/ https://www.ncbi.nlm.nih.gov/pubmed/35020376 http://dx.doi.org/10.1021/acs.jcim.1c00823

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