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

In this work, two freely available web-based interactive computational tools that facilitate the analysis and interpretation of protein–ligand interaction data are described. Firstly, WONKA, which assists in uncovering interesting and unusual features (for example residue motions) within ensembles o...

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Detalles Bibliográficos
Autores principales: Deane, Charlotte M., Wall, Ian D., Green, Darren V. S., Marsden, Brian D., Bradley, Anthony R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5349440/
https://www.ncbi.nlm.nih.gov/pubmed/28291763
http://dx.doi.org/10.1107/S2059798316009529