These authors contributed equally to this work.
Pharmacophore-Based Virtual Screening to Aid in the Identification of Unknown Protein Function
Article first published online: 11 OCT 2012
© 2012 John Wiley & Sons A/S
Chemical Biology & Drug Design
Volume 80, Issue 6, pages 828–842, December 2012
How to Cite
Mallipeddi, P. L., Joshi, M. and Briggs, J. M. (2012), Pharmacophore-Based Virtual Screening to Aid in the Identification of Unknown Protein Function. Chemical Biology & Drug Design, 80: 828–842. doi: 10.1111/j.1747-0285.2012.01408.x
- Issue published online: 25 OCT 2012
- Article first published online: 11 OCT 2012
- Accepted manuscript online: 8 MAY 2012 11:37AM EST
- Received 2 March 2012 and accepted for publication 24 April 2012
Figure S1. Overlay of the predicted pose (colored green stick representation) of the substrate from the pharmacophore and the co-crystallized ligand (colored by atom stick representation).
Table S1. Top ten-ranked compounds and their structure for each of the five protein test cases.
Table S2. Ranking of substrate-like compounds based on compounds retrieved by the pharmacophore model for each test case.
|CBDD_1408_sm_FigS1-TableS1-S2.doc||381K||Supporting info item|
Please note: Wiley Blackwell is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article.