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. 2014 Feb 28;9(2):e90095. doi: 10.1371/journal.pone.0090095

Figure 1. Three-Stage De Novo Peptide Design Workflow Diagram.

Figure 1

Stage I is an optimization-based sequence selection stage. Stage II is a fold specificity calculation to determine how well designed sequences fold into the desired template structure compared to the native sequence. Stage III is an approximate binding affinity calculation to determine how well the designed sequences binds to the target protein.