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. 2010 Jan 12;10:1. doi: 10.1186/1472-6807-10-1

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Copyright ©2010 Manavalan et al; licensee BioMed Central Ltd.

This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by/2.0), which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

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Ligand interaction plot of the ASEDock-generated reductase Chrysopermin (panel A), Antiamoebin (panel B), Alamethicin (panel C), Gramicidin (panel D) and Trichotoxin (panel E). The plot depicts the 2D ("flattened") spatial arrangement of the ligand and the R domain with respect to key interactions. The proximity contour (dashed lines) and solvent exposed areas (solid purple spheres) of the ligand atoms are indicated as the polar (pink), hydrophobic (green), and solvent-exposed (light blue shadow) binding pocket amino acids. Acidic and basic residues are highlighted with red and blue halos, respectively.