Partial-occupancy binders identified by the Pan-Dataset Density Analysis method offer new chemical opportunities and reveal cryptic binding sites

Crystallographic fragment screening uses low molecular weight compounds to probe the protein surface and although individual protein-fragment interactions are high quality, fragments commonly bind at low occupancy, historically making identification difficult. However, our new Pan-Dataset Density An...

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Detalhes bibliográficos
Main Authors: Pearce, N, Bradley, A, Krojer, T, Marsden, B, Deane, C, von Delft, F
Formato: Journal article
Publicado em: AIP Publishing 2017