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.
This is a Tool Publishing server.
- Supports visualizations (halogen bond spheres) for:
- the protein backbone (spherical scans and planar scans)
- More visualizations and evaluation tools will be added in the near future.
- 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
- "Files older than 30 days will be deleted, so make sure to save the results to your hard drive."
- This webserver is provided by the group of Prof. Dr. Frank Boeckler (University of Tuebingen, Germany)