Automated identification of crystallographic ligands using sparse-density representations

Carolan, C.G.; Lamzin, V.S.

doi:10.1107/S1399004714008578

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 4
(a) Final ranks of the correct compound following real-space refinement and ranking by CC for the 550 compounds passing through feature-based ligand selection. (b) Performance with data at various resolutions amongst those ligands passed to the final real-space refinement step. (c) Performance with ligands of different sizes amongst those ligands passed to the final real-space refinement step.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 70| Part 7| July 2014| Pages 1844-1853

https://doi.org/10.1107/S1399004714008578

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