Fragment hotspot mapping to identify selectivity-determining regions between related proteins

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 specific target, while...

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Bibliographic Details
Main Authors: Smilova, MD, Curran, PR, Radoux, CJ, Von Delft, F, Cole, JC, Bradley, AR, Marsden, B
Format: Journal article
Language:English
Published: American Chemical Society 2022