WONKA: objective novel complex analysis for ensembles of protein-ligand structures.
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ABSTRACT:
SUBMITTER: Bradley AR
PROVIDER: S-EPMC4621702 | biostudies-literature | 2015 Oct
REPOSITORIES: biostudies-literature
Publications
WONKA: objective novel complex analysis for ensembles of protein-ligand structures.
Bradley A R AR Wall I D ID von Delft F F Green D V S DV Deane C M CM Marsden B D BD
Journal of computer-aided molecular design 20150919 10
WONKA is a tool for the systematic analysis of an ensemble of protein-ligand structures. It makes the identification of conserved and unusual features within such an ensemble straightforward. WONKA uses an intuitive workflow to process structural co-ordinates. Ligand and protein features are summarised and then presented within an interactive web application. WONKA's power in consolidating and summarising large amounts of data is described through the analysis of three bromodomain datasets. Furt ...[more]
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