Table of Contents
ISRN Bioinformatics
Volume 2013, Article ID 640518, 12 pages
Research Article

Discovery of YopE Inhibitors by Pharmacophore-Based Virtual Screening and Docking

Department of Chemical Engineering, Boğaziçi University, 34342 Istanbul, Turkey

Received 12 June 2013; Accepted 28 August 2013

Academic Editors: Z. Gáspári, D. Labudde, and D. A. McClellan

Copyright © 2013 Gizem Ozbuyukkaya et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Supplementary Material

The list of vendors used in small molecule database (Table S1), 2D structures of small compounds found in literature (Table S2), pharmacophore site measurements (Table S3), detailed docking results (Table S4 and Table S5), detailed ADME and pharmacokinetic property estimates (Table S6), SiteMap and ChemMine outputs (Figure S1 and Figure S2) and pharmacophore-hit superimpositions (Figure S3) are provided.

  1. Supplementary Material