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Figure 1 | BMC Bioinformatics

Figure 1

From: In silico saturation mutagenesis and docking screening for the analysis of protein-ligand interaction: the Endothelial Protein C Receptor case study

Figure 1

Schematic diagram of the pipeline. Blue panel represents the first stage of the pipeline devoted to single mutants design. Violet panel is the second stage devoted to double mutants. Steps within the panels are automatically executed. "Protein" and "Ligand" are the pipeline input files and contain the corresponding atomic coordinates. "Selected single and double mutants" are the pipeline outputs. Steps involving public software are in green boxes. Ki (inhibition constant) and ΔΔG (free energy difference) filters are in purple circles. Black arrows connect different steps of the pipeline, while blue arrows identify the intermediate outputs collected in the database.

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BMC Bioinformatics

ISSN: 1471-2105

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