Published June 12, 2015
| Version v1
Dataset
Open
3D activity cliff information for target-specific interaction hotspot analysis
Authors/Creators
- 1. Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology and Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Dahlmannstr. 2, D-53113 Bonn, Germany.
- 2. Pharmaceutical Institute, University of Bonn, An der Immenburg 4, D-53121 Bonn, Germany.
Description
Seven subsets of recently identified three-dimensional activity cliffs (3D-cliffs) were used for the identification of target-specific interaction hotspots. The list of all 3D-cliffs as well as the superpositions of complex X-ray structures and 3D ligands for the corresponding targets are provided. The data organization and information is detailed in README.doc.
Files
Superpositions.zip
Files
(61.3 MB)
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