These authors contributed equally to this work.
Pharmacophore-Based Virtual Screening to Aid in the Identification of Unknown Protein Function
Version of Record 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 online: 25 OCT 2012
- Version of Record 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|
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