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. Author manuscript; available in PMC: 2017 Jun 30.
Published in final edited form as: J Comput Chem. 2016 Mar 24;37(17):1559–1564. doi: 10.1002/jcc.24370

Figure 3.

Figure 3

Snapshots of the SM-TF database. The website consists of three web pages: Home, Search, and Download. A. The Home page provides a summary of the database. B. The Search page lists the SM-TF data in a searchable table. This panel displays the output of an example search with the keyword “PPARG”. C. One entry of the search results for PPARG. The left plot shows the bound conformation of the small molecule colored by atom types in stick representation. The middle plot displays the binding pocket, shown in stick representation and colored by atom types. For clarity, the co-bound small molecule is also shown in surface representation (magenta). The right plot is the clean binding pocket, which contains only the amino acid residues. D. The Download page provides the links for downloading the whole or part of the database.