Halogen Bonding
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| Summary: | Visualize halogen bond contacts in the protein binding site. Analyze a protein binding site for halogen bonding hotspots. Evaluate halogen contacts with the protein backbone using the scoring function XBScore. |
Comments
- Halogen Bonding project home Supports visualizations (halogen bond spheres) for: the protein backbone (spherical scans and planar scans), methionine, and histidine.
User Support
Quotas
- Files older than 30 days will be deleted, so make sure to save the results to your hard drive.
Citations
- Evaluating the Potential of Halogen Bonding in Molecular Design: Automated Scaffold Decoration Using the New Scoring Function XBScore, Markus O. Zimmermann, Andreas Lange, and Frank M. Boeckler Journal of Chemical Information and Modeling 2015 55 (3), 687-699 DOI:10.1021/ci5007118
- Using halogen bonds to address the protein backbone: a systematic evaluation, Rainer Wilcken, Markus O. Zimmermann, Andreas Lange, Stefan Zahn, and Frank M. Boeckler J. Comput. Aided Mol. Des. 2012, 26 (8), 935-945. DOI:10.1007/s10822-012-9592-8
Sponsors
- This webserver is provided by the group of Prof. Dr. Frank Boeckler (University of Tuebingen, Germany)