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. 2007 Jan 5;92(6):2120–2130. doi: 10.1529/biophysj.106.096016

FIGURE 8.

FIGURE 8

AraC protein (PDB: 2ARC) was redesigned using IPRO to bind cis-verbenol without any regard to the corresponding binding score of competitive ligands (mutations are shown within the dark gray circle). The modified version of IPRO was also employed to proactively suppress the binding energy for verbenone while optimizing the binding energy for cis-verbenol (mutations are shown within the white circle). Common mutations between the two are placed in the overlapping regions between circles.