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. 2016 Nov 18;11(11):e0166583. doi: 10.1371/journal.pone.0166583

Fig 6. Binding Free Energy Calculations of the BRAF Dimer Complexes with PLX4720 and Dabrafenib.

Fig 6

Binding free energies and alanine scanning of the binding site residues in the first and second binding sites of the PLX4720-BRAF complex (A,B) and Dabrafenib-BRAF complex (C,D). The standard errors of binding free energy differences, which are the standard deviation of the mean values, were ~ 0.11–0.25 kcal/mol for the PLX4720-BRAF complex and 0.18–0.22 kcal/mol for the Dabrafenib-BRAF complex. The results of alanine scanning are shown in blue bars for the first binding site (A, C) and in red bars for the second binding site (B, D).