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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Bibliographic Details
Main Authors: Nicholas M. Pearce, Anthony R. Bradley, Tobias Krojer, Brian D. Marsden, Charlotte M. Deane, Frank von Delft
Format: Article
Language:English
Published: AIP Publishing LLC and ACA 2017-05-01
Series:Structural Dynamics
Online Access:http://dx.doi.org/10.1063/1.4974176