WONKA and OOMMPPAA: analysis of protein–ligand interaction data to direct structure-based drug design

Deane, C.M.; Wall, I.D.; Green, D.V.S.; Marsden, B.D.; Bradley, A.R.

doi:10.1107/S2059798316009529

Acta Crystallographica Section D
Acta Crystallographica
Section D STRUCTURAL BIOLOGY

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Figure 3
A screenshot of the WONKA analysis page for PHIP. The Key Feature panel has four buttons: Ligands, Residues, Waters and Sites. Clicking on each button allows the user to show different analysis in the Summary Panel. In this case the Water analysis is shown. The two-dimensional compound display allows the user to view the available ligands for this target. Clicking on each compound in the two-dimensional display shows the three-dimensional conformation of the ligands and their parent protein/water molecules in the three-dimensional protein display. The annotation and download tool allows the user to make and share observations and download the data in ICB format.

STRUCTURAL
BIOLOGY

ISSN: 2059-7983

Volume 73| Part 3| March 2017| Pages 279-285

https://doi.org/10.1107/S2059798316009529

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